[(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

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Related Compounds

2-(2,5-dimethylphenyl)cyclopentan-1-amine
CID 62605663
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
2-(2-chlorocyclohexyl)-1,4-dimethylbenzene
CID 63512125
[2-(4-methylbenzoyl)cyclohexyl] formate
CID 57314256
2-[2,6-dimethyl-4-[(1S,2S)-2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid
CID 159779236
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021403
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
1-azabicyclo[2.2.2]octan-3-yl-(4-methylphenyl)methanone chloride
CID 53312619

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).