2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol

C15H20BrClO — CID 114191784

IUPAC2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
SMILESCC(O)(CCC1CCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H20BrClO/c1-15(18,9-8-11-4-2-3-5-11)13-7-6-12(16)10-14(13)17/h6-7,10-11,18H,2-5,8-9H2,1H3
InChIKeyYQJLXMJQTROGHB-UHFFFAOYSA-N
MW331.68 g/mol
LogP5.28
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol

2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol (PubChem CID 114191784) has the molecular formula C15H20BrClO and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
PubChem CID114191784
Molecular FormulaC15H20BrClO
Molecular Weight331.68 g/mol
Exact Mass330.04
IUPAC Name2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
SMILESCC(O)(CCC1CCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H20BrClO/c1-15(18,9-8-11-4-2-3-5-11)13-7-6-12(16)10-14(13)17/h6-7,10-11,18H,2-5,8-9H2,1H3
InChIKeyYQJLXMJQTROGHB-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.68
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-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 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol (CID 114191784) is 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol is CC(O)(CCC1CCCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol?
The InChIKey is YQJLXMJQTROGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO/c1-15(18,9-8-11-4-2-3-5-11)13-7-6-12(16)10-14(13)17/h6-7,10-11,18H,2-5,8-9H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol?
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol has a molecular weight of 331.68 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol is sourced from PubChem (CID 114191784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).