1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol

C13H17ClO — CID 79862434

IUPAC1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)c1ccccc1Cl
InChIInChI=1S/C13H17ClO/c1-12(2)8-5-9-13(12,15)10-6-3-4-7-11(10)14/h3-4,6-7,15H,5,8-9H2,1-2H3
InChIKeyVONLFUCVBLMATF-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.74
Rot. Bonds1

About 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol

1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 79862434) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol
PubChem CID79862434
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)c1ccccc1Cl
InChIInChI=1S/C13H17ClO/c1-12(2)8-5-9-13(12,15)10-6-3-4-7-11(10)14/h3-4,6-7,15H,5,8-9H2,1-2H3
InChIKeyVONLFUCVBLMATF-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chlorophenyl)-2,2-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol (CID 79862434) is 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol is CC1(C)CCCC1(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is VONLFUCVBLMATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-12(2)8-5-9-13(12,15)10-6-3-4-7-11(10)14/h3-4,6-7,15H,5,8-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol?
1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79862434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).