2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol

C15H21ClO — CID 66059074

IUPAC2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
SMILESOCC(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C15H21ClO/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2
InChIKeyREWFBEJNOWBDBV-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.07
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol (PubChem CID 66059074) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
PubChem CID66059074
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
SMILESOCC(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C15H21ClO/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2
InChIKeyREWFBEJNOWBDBV-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-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 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol (CID 66059074) is 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol is OCC(Cc1cccc(Cl)c1)CC1CCCC1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
The InChIKey is REWFBEJNOWBDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol has a molecular weight of 252.78 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol is sourced from PubChem (CID 66059074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).