2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone

C23H24O2 — CID 122385088

IUPAC2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)C[C@@H]2CCCC=C2C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H24O2/c1-16-7-5-10-19(13-16)22(24)15-18-9-3-4-12-21(18)23(25)20-11-6-8-17(2)14-20/h5-8,10-14,18H,3-4,9,15H2,1-2H3/t18-/m0/s1
InChIKeyKRCHKEFHOSWPNU-SFHVURJKSA-N
MW332.44 g/mol
LogP5.49
Rot. Bonds5

About 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone

2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone (PubChem CID 122385088) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
PubChem CID122385088
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)C[C@@H]2CCCC=C2C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H24O2/c1-16-7-5-10-19(13-16)22(24)15-18-9-3-4-12-21(18)23(25)20-11-6-8-17(2)14-20/h5-8,10-14,18H,3-4,9,15H2,1-2H3/t18-/m0/s1
InChIKeyKRCHKEFHOSWPNU-SFHVURJKSA-N
XLogP5.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone
CID 71486460
cyclopenten-1-yl-(3-methylphenyl)methanone
CID 62080308
2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
CID 66570584
cis-(1S,2R)-2-[2-(3-methylphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91654759
2-[2-(3-methylphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 53411627
bis(3-methylphenyl)methanone
CID 17848
4-[2-(3-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722573
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
cyclobutyl 3-methylbenzoate
CID 530470

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone (CID 122385088) is 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)C[C@@H]2CCCC=C2C(=O)c2cccc(C)c2)c1.
What is the InChIKey of 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone?
The InChIKey is KRCHKEFHOSWPNU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24O2/c1-16-7-5-10-19(13-16)22(24)15-18-9-3-4-12-21(18)23(25)20-11-6-8-17(2)14-20/h5-8,10-14,18H,3-4,9,15H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone?
2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone has a molecular weight of 332.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 122385088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).