[(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone

C21H24O — CID 59816194

IUPAC[(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@H]2CCC[C@H]2c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H24O/c1-14-8-11-17(12-9-14)21(22)19-6-4-5-18(19)20-13-15(2)7-10-16(20)3/h7-13,18-19H,4-6H2,1-3H3/t18-,19+/m1/s1
InChIKeyPHLHMEYJKKYNBO-MOPGFXCFSA-N
MW292.42 g/mol
LogP5.38
Rot. Bonds3

About [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone

[(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone (PubChem CID 59816194) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone
PubChem CID59816194
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name[(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@H]2CCC[C@H]2c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H24O/c1-14-8-11-17(12-9-14)21(22)19-6-4-5-18(19)20-13-15(2)7-10-16(20)3/h7-13,18-19H,4-6H2,1-3H3/t18-,19+/m1/s1
InChIKeyPHLHMEYJKKYNBO-MOPGFXCFSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone 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 [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone?
The IUPAC name of [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone (CID 59816194) is [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone?
The canonical SMILES for [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)[C@H]2CCC[C@H]2c2cc(C)ccc2C)cc1.
What is the InChIKey of [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone?
The InChIKey is PHLHMEYJKKYNBO-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H24O/c1-14-8-11-17(12-9-14)21(22)19-6-4-5-18(19)20-13-15(2)7-10-16(20)3/h7-13,18-19H,4-6H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone?
[(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone has a molecular weight of 292.42 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 59816194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).