---
title: "Toluene Structure (C7H8): 3D Model, Formula & Molar Mass | MolDraw"
url: https://www.moldraw.com/molecules/toluene.html
description: "Structure of Toluene (C7H8, 92.14 g/mol): rotatable 3D model, 2D skeletal formula, IUPAC name, SMILES, shape, polarity, uses and FAQ."
lang: en
publisher: Scidart Academy
generated: 2026-10-26
---
[MolDraw](https://www.moldraw.com/) › [3D molecule models](https://www.moldraw.com/molecules/) › Toluene structure

# Toluene structure and 3D model (C7H8)

Toluene (methylbenzene) is a benzene ring with one methyl group. The ring is flat and the methyl carbon lies in the ring plane.

**Quick answer:** Toluene is **C7H8**, molar mass **92.14 g/mol**. Flat ring with a small methyl group; nearly non-polar and almost insoluble in water.

Atom labels Hydrogens Spin

Drag to rotate · pinch or scroll to zoom. 3D coordinates: computed with RDKit (ETKDG conformer, force-field optimised).

## Toluene at a glance

| Formula | C7H8 |
| --- | --- |
| Molar mass | 92.14 g/mol |
| IUPAC name | toluene |
| Atoms / bonds | 15 / 15 |
| H-bond donors / acceptors | 0 / 0 |
| logP (estimated) | 2.0 |
| SMILES | `CC1=CC=CC=C1` |
| InChIKey | `YXFVVABEGXRONW-UHFFFAOYSA-N` |
| PubChem | [1140](https://pubchem.ncbi.nlm.nih.gov/compound/1140) |

![2D structural formula of Toluene (C7H8)](https://www.moldraw.com/molecules/img/toluene.svg)

2D structure (skeletal formula) · [Draw it in MolDraw](https://www.moldraw.com/)

## What the 3D model of Toluene shows

The model contains **15 atoms** (7 heavy atoms and 8 hydrogens) joined by **15 bonds**; in ball-and-stick mode every stick is one bond, and double or aromatic bonds are drawn as multiple sticks. Switch to *space-filling* to see the molecule as its electron cloud, scaled to van der Waals radii: this is the shape other molecules actually "feel". It can donate 0 and accept 0 hydrogen bonds, and its estimated logP of 2.0 means it is fairly balanced between water and fat. Its topological polar surface area is 0 Ų.

## Shape and bond angles

| Atom(s) | Geometry / hybridisation | Angles & lengths |
| --- | --- | --- |
| ring carbons | Trigonal planar, sp²; aromatic ring | 120° |
| methyl carbon | Tetrahedral, sp³ | ≈ 109.5° |

### Is Toluene polar?

Only very slightly. The methyl group gives a small dipole of about 0.36 D, but toluene behaves as a non-polar solvent.

## Elemental composition of C7H8

| Element | Atoms | Mass (g/mol) | Mass % |
| --- | --- | --- | --- |
| Carbon (C) | 7 | 84.077 | 91.25% |
| Hydrogen (H) | 8 | 8.064 | 8.75% |

Calculated from IUPAC standard atomic weights. Check any formula with the [molar mass calculator](https://www.moldraw.com/tools/free-chem-tools/molar-mass-calculator.html).

## Uses of toluene

- Common solvent for paints, glues and inks
- Raw material for TNT, benzoic acid and other chemicals
- Added to petrol to raise octane rating

## Interesting facts

- Toluene was first isolated from balsam of Tolu, a tree resin, which gave it its name.
- It is less toxic than benzene, so it has replaced benzene as a solvent in many uses.
- Nitrating toluene three times gives TNT (2,4,6-trinitrotoluene).

**Drawing structures for your notes?** MolDraw is a free online chemical structure editor for molecules, reactions and lab diagrams.

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## Frequently asked questions

### What is the structure of Toluene?

Toluene (methylbenzene) is a benzene ring with one methyl group. The ring is flat and the methyl carbon lies in the ring plane. Its SMILES is CC1=CC=CC=C1.

### Is toluene polar or non-polar?

Non-polar. It has a very small dipole and does not mix with water.

### What is the difference between toluene and benzene?

Toluene has a CH₃ group in place of one hydrogen on benzene.

### What is the chemical formula and molar mass of Toluene?

Toluene is C7H8 with a molar mass of 92.14 g/mol. It contains 15 atoms: 7 carbon, 8 hydrogen.

### What is the IUPAC name of Toluene?

The IUPAC name is toluene.

### How do I draw Toluene?

Open the MolDraw editor, paste the SMILES CC1=CC=CC=C1 or type "Toluene" in name search, and the structure is drawn for you. You can then export it as PNG, SVG, MOL or CDXML.

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