benzene

C18H18 — CID 21262180

IUPACbenzene
SMILESc1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6/c3*1-2-4-6-5-3-1/h3*1-6H
InChIKeyCIVVCJLDSOOZRG-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.06
Rot. Bonds

About benzene

benzene (PubChem CID 21262180) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is benzene.

Molecular Properties

Compound Namebenzene
PubChem CID21262180
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Namebenzene
SMILESc1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6/c3*1-2-4-6-5-3-1/h3*1-6H
InChIKeyCIVVCJLDSOOZRG-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene?
The IUPAC name of benzene (CID 21262180) is benzene.
What is the SMILES notation for benzene?
The canonical SMILES for benzene is c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene?
The InChIKey is CIVVCJLDSOOZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6/c3*1-2-4-6-5-3-1/h3*1-6H.
What are the key properties of benzene?
benzene has a molecular weight of 234.34 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene is sourced from PubChem (CID 21262180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).