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

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Related Compounds

2,2-dimethyl-1-naphthalen-1-ylcyclopentan-1-ol
CID 79863482
1-(2-amino-3-pyridinyl)-2,2-dimethylcyclohexan-1-ol
CID 79853038
2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol
CID 79862225
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863052
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
CID 82806761
1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863261
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115020894
(2S)-2-(2-chlorophenyl)-2-methyloxirane
CID 94591517

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).