[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol

C14H19ClO — CID 106870584

IUPAC[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
SMILESCc1ccc(CC2(CO)CCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClO/c1-11-4-5-12(13(15)8-11)9-14(10-16)6-2-3-7-14/h4-5,8,16H,2-3,6-7,9-10H2,1H3
InChIKeyJEELHNIQJIZLAT-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.74
Rot. Bonds3

About [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol

[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol (PubChem CID 106870584) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
PubChem CID106870584
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
SMILESCc1ccc(CC2(CO)CCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClO/c1-11-4-5-12(13(15)8-11)9-14(10-16)6-2-3-7-14/h4-5,8,16H,2-3,6-7,9-10H2,1H3
InChIKeyJEELHNIQJIZLAT-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106869510
[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 106870628
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
CID 106866634
2-[(2-chloro-4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106865468
3-benzyl-3-[(2-chloro-4-methylphenyl)methyl]azetidine
CID 106870811

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol (CID 106870584) is [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol is Cc1ccc(CC2(CO)CCCC2)c(Cl)c1.
What is the InChIKey of [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol?
The InChIKey is JEELHNIQJIZLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-11-4-5-12(13(15)8-11)9-14(10-16)6-2-3-7-14/h4-5,8,16H,2-3,6-7,9-10H2,1H3.
What are the key properties of [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol?
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol has a molecular weight of 238.76 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 106870584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).