1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone

C18H26O — CID 69053490

IUPAC1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone
SMILESCC(=O)c1cc(C)c(C(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H26O/c1-12-10-17(15(4)19)11-13(2)18(12)14(3)16-8-6-5-7-9-16/h10-11,14,16H,5-9H2,1-4H3
InChIKeyZQNAPEFZXUPROK-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.19
Rot. Bonds3

About 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone

1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone (PubChem CID 69053490) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone
PubChem CID69053490
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone
SMILESCC(=O)c1cc(C)c(C(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H26O/c1-12-10-17(15(4)19)11-13(2)18(12)14(3)16-8-6-5-7-9-16/h10-11,14,16H,5-9H2,1-4H3
InChIKeyZQNAPEFZXUPROK-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1-cyclopentylethyl)phenyl]ethanone
CID 115029782
1-[4-(difluoromethyl)-3-hydroxy-5-methylphenyl]ethanone
CID 131330772
1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
CID 131626156
3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82045661
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
CID 82932329
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
CID 171198721
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone?
The IUPAC name of 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone (CID 69053490) is 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone.
What is the SMILES notation for 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone?
The canonical SMILES for 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone is CC(=O)c1cc(C)c(C(C)C2CCCCC2)c(C)c1.
What is the InChIKey of 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone?
The InChIKey is ZQNAPEFZXUPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-12-10-17(15(4)19)11-13(2)18(12)14(3)16-8-6-5-7-9-16/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone?
1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone has a molecular weight of 258.40 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone is sourced from PubChem (CID 69053490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).