cyclohexylbenzene

C12H16 — CID 13229

IUPACcyclohexylbenzene
SMILESc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyIGARGHRYKHJQSM-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.73
Rot. Bonds1

About cyclohexylbenzene

cyclohexylbenzene (PubChem CID 13229) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is cyclohexylbenzene.

Molecular Properties

Compound Namecyclohexylbenzene
PubChem CID13229
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namecyclohexylbenzene
SMILESc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyIGARGHRYKHJQSM-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclohexylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of cyclohexylbenzene?
The IUPAC name of cyclohexylbenzene (CID 13229) is cyclohexylbenzene.
What is the SMILES notation for cyclohexylbenzene?
The canonical SMILES for cyclohexylbenzene is c1ccc(C2CCCCC2)cc1.
What is the InChIKey of cyclohexylbenzene?
The InChIKey is IGARGHRYKHJQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of cyclohexylbenzene?
cyclohexylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylbenzene is sourced from PubChem (CID 13229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).