1-bromo-4-(4-cyclohexylcyclohexyl)benzene

C18H25Br — CID 57247187

IUPAC1-bromo-4-(4-cyclohexylcyclohexyl)benzene
SMILESBrc1ccc(C2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25Br/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h10-16H,1-9H2
InChIKeyRYINMQTYSLHHLK-UHFFFAOYSA-N
MW321.30 g/mol
LogP6.30
Rot. Bonds2

About 1-bromo-4-(4-cyclohexylcyclohexyl)benzene

1-bromo-4-(4-cyclohexylcyclohexyl)benzene (PubChem CID 57247187) has the molecular formula C18H25Br and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-bromo-4-(4-cyclohexylcyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-cyclohexylcyclohexyl)benzene
PubChem CID57247187
Molecular FormulaC18H25Br
Molecular Weight321.30 g/mol
Exact Mass320.11
IUPAC Name1-bromo-4-(4-cyclohexylcyclohexyl)benzene
SMILESBrc1ccc(C2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25Br/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h10-16H,1-9H2
InChIKeyRYINMQTYSLHHLK-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.30
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-(4-cyclohexylcyclohexyl)benzene 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-4-(4-cyclohexylcyclohexyl)benzene?
The IUPAC name of 1-bromo-4-(4-cyclohexylcyclohexyl)benzene (CID 57247187) is 1-bromo-4-(4-cyclohexylcyclohexyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-cyclohexylcyclohexyl)benzene?
The canonical SMILES for 1-bromo-4-(4-cyclohexylcyclohexyl)benzene is Brc1ccc(C2CCC(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-bromo-4-(4-cyclohexylcyclohexyl)benzene?
The InChIKey is RYINMQTYSLHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Br/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h10-16H,1-9H2.
What are the key properties of 1-bromo-4-(4-cyclohexylcyclohexyl)benzene?
1-bromo-4-(4-cyclohexylcyclohexyl)benzene has a molecular weight of 321.30 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-cyclohexylcyclohexyl)benzene is sourced from PubChem (CID 57247187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).