benzene

C12H12 — CID 18519961

IUPACbenzene
SMILESc1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6/c2*1-2-4-6-5-3-1/h2*1-6H
InChIKeyXDLDASNSMGOEMX-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.37
Rot. Bonds

About benzene

benzene (PubChem CID 18519961) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is benzene.

Molecular Properties

Compound Namebenzene
PubChem CID18519961
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Namebenzene
SMILESc1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6/c2*1-2-4-6-5-3-1/h2*1-6H
InChIKeyXDLDASNSMGOEMX-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.37
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 18519961) is benzene.
What is the SMILES notation for benzene?
The canonical SMILES for benzene is c1ccccc1.c1ccccc1.
What is the InChIKey of benzene?
The InChIKey is XDLDASNSMGOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6/c2*1-2-4-6-5-3-1/h2*1-6H.
What are the key properties of benzene?
benzene has a molecular weight of 156.23 g/mol, XLogP of 3.37, 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 18519961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).