1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol

C14H19ClO — CID 80699934

IUPAC1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClO/c1-13(2)7-8-14(16,10-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyDQGSPSWTPQUKBV-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.82
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol

1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol (PubChem CID 80699934) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
PubChem CID80699934
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClO/c1-13(2)7-8-14(16,10-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyDQGSPSWTPQUKBV-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-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

Related Compounds

1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699119
1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol
CID 83173185
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306
1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682706
1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699590
3-[(4-ethylphenyl)methyl]-5,5-dimethylthian-3-ol
CID 79947093
5,5-dimethyl-3-[(4-propan-2-ylphenyl)methyl]thian-3-ol
CID 79947185
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682618
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698548
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
CID 14700145
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 105402555
3,3-dimethyl-1-(methylaminomethyl)cyclopentan-1-ol
CID 80698803

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol (CID 80699934) is 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol is CC1(C)CCC(O)(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
The InChIKey is DQGSPSWTPQUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-13(2)7-8-14(16,10-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol has a molecular weight of 238.76 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80699934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).