1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone

C22H26O — CID 59938752

IUPAC1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H26O/c1-16-3-7-18(8-4-16)15-22(23)21-13-11-20(12-14-21)19-9-5-17(2)6-10-19/h3-4,7-8,11-14,17,19H,5-6,9-10,15H2,1-2H3
InChIKeyFZBFYWNMLIUWFF-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.71
Rot. Bonds4

About 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone

1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone (PubChem CID 59938752) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
PubChem CID59938752
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H26O/c1-16-3-7-18(8-4-16)15-22(23)21-13-11-20(12-14-21)19-9-5-17(2)6-10-19/h3-4,7-8,11-14,17,19H,5-6,9-10,15H2,1-2H3
InChIKeyFZBFYWNMLIUWFF-UHFFFAOYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
2-bromo-1-[4-(4-methylcyclohexyl)phenyl]ethanone
CID 141124897
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone
CID 116549633
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-(4-cyclohexylphenyl)-2-pyridin-4-ylethanone
CID 22282352
ethyl 2-[4-(4-methylcyclohexyl)phenyl]-2-oxoacetate
CID 117438595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone (CID 59938752) is 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone?
The InChIKey is FZBFYWNMLIUWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-16-3-7-18(8-4-16)15-22(23)21-13-11-20(12-14-21)19-9-5-17(2)6-10-19/h3-4,7-8,11-14,17,19H,5-6,9-10,15H2,1-2H3.
What are the key properties of 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone?
1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone has a molecular weight of 306.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 59938752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).