5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol

C29H27BrO — CID 139595396

IUPAC5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol
SMILESOC(CC(CCc1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27BrO/c30-28-19-17-25(18-20-28)24-14-11-22(12-15-24)13-16-27(23-7-3-1-4-8-23)21-29(31)26-9-5-2-6-10-26/h1-12,14-15,17-20,27,29,31H,13,16,21H2
InChIKeyIHDWCTCUZMKWJG-UHFFFAOYSA-N
MW471.44 g/mol
LogP7.96
Rot. Bonds8

About 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol

5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol (PubChem CID 139595396) has the molecular formula C29H27BrO and a molecular weight of 471.44 g/mol. Its IUPAC name is 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol.

Molecular Properties

Compound Name5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol
PubChem CID139595396
Molecular FormulaC29H27BrO
Molecular Weight471.44 g/mol
Exact Mass470.12
IUPAC Name5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol
SMILESOC(CC(CCc1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27BrO/c30-28-19-17-25(18-20-28)24-14-11-22(12-15-24)13-16-27(23-7-3-1-4-8-23)21-29(31)26-9-5-2-6-10-26/h1-12,14-15,17-20,27,29,31H,13,16,21H2
InChIKeyIHDWCTCUZMKWJG-UHFFFAOYSA-N
XLogP7.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.44
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol 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 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol?
The IUPAC name of 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol (CID 139595396) is 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol.
What is the SMILES notation for 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol?
The canonical SMILES for 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol is OC(CC(CCc1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol?
The InChIKey is IHDWCTCUZMKWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrO/c30-28-19-17-25(18-20-28)24-14-11-22(12-15-24)13-16-27(23-7-3-1-4-8-23)21-29(31)26-9-5-2-6-10-26/h1-12,14-15,17-20,27,29,31H,13,16,21H2.
What are the key properties of 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol?
5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol has a molecular weight of 471.44 g/mol, XLogP of 7.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-bromophenyl)phenyl]-1,3-diphenylpentan-1-ol is sourced from PubChem (CID 139595396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).