(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one

C13H15ClO — CID 125498764

IUPAC(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C[C@@H](c2ccccc2Cl)CC1=O
InChIInChI=1S/C13H15ClO/c1-13(2)8-9(7-12(13)15)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyTVLIODLQQBDSDV-VIFPVBQESA-N
MW222.72 g/mol
LogP3.81
Rot. Bonds1

About (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one

(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one (PubChem CID 125498764) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one
PubChem CID125498764
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C[C@@H](c2ccccc2Cl)CC1=O
InChIInChI=1S/C13H15ClO/c1-13(2)8-9(7-12(13)15)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyTVLIODLQQBDSDV-VIFPVBQESA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498696
(5S)-3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one
CID 11287482
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
4-(2-chlorophenyl)-1-methylcyclohexan-1-ol
CID 173109807
4-(2-chlorophenyl)oxolan-2-one
CID 12862869
3-(2-chlorophenyl)-1-methylazetidine
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1-(3-tert-butylcyclobutyl)-2-chlorobenzene
CID 135182977
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134
6,7-bis(2-chlorophenyl)-4-(dimethylamino)bicyclo[2.2.2]octan-2-one
CID 67037436
(6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 129386569
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
3-(2-chlorophenyl)-1-propan-2-ylazetidine
CID 167307066

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one?
The IUPAC name of (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one (CID 125498764) is (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one is CC1(C)C[C@@H](c2ccccc2Cl)CC1=O.
What is the InChIKey of (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one?
The InChIKey is TVLIODLQQBDSDV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClO/c1-13(2)8-9(7-12(13)15)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one?
(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one has a molecular weight of 222.72 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 125498764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).