1-bromo-3-cyclohexylbenzene

C12H15Br — CID 18398266

IUPAC1-bromo-3-cyclohexylbenzene
SMILESBrc1cccc(C2CCCCC2)c1
InChIInChI=1S/C12H15Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKeyKTNLLCDOFZYDDH-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.50
Rot. Bonds1

About 1-bromo-3-cyclohexylbenzene

1-bromo-3-cyclohexylbenzene (PubChem CID 18398266) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromo-3-cyclohexylbenzene.

Molecular Properties

Compound Name1-bromo-3-cyclohexylbenzene
PubChem CID18398266
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromo-3-cyclohexylbenzene
SMILESBrc1cccc(C2CCCCC2)c1
InChIInChI=1S/C12H15Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKeyKTNLLCDOFZYDDH-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-3-cyclohexylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclohexylbenzene?
The IUPAC name of 1-bromo-3-cyclohexylbenzene (CID 18398266) is 1-bromo-3-cyclohexylbenzene.
What is the SMILES notation for 1-bromo-3-cyclohexylbenzene?
The canonical SMILES for 1-bromo-3-cyclohexylbenzene is Brc1cccc(C2CCCCC2)c1.
What is the InChIKey of 1-bromo-3-cyclohexylbenzene?
The InChIKey is KTNLLCDOFZYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2.
What are the key properties of 1-bromo-3-cyclohexylbenzene?
1-bromo-3-cyclohexylbenzene has a molecular weight of 239.16 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclohexylbenzene is sourced from PubChem (CID 18398266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).