1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one

C17H24O — CID 115792622

IUPAC1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
SMILESCc1cccc(C)c1CC(=O)CC1CCCCC1
InChIInChI=1S/C17H24O/c1-13-7-6-8-14(2)17(13)12-16(18)11-15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3
InChIKeyRAPQQRVEDHLVRH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.39
Rot. Bonds4

About 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one

1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one (PubChem CID 115792622) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
PubChem CID115792622
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
SMILESCc1cccc(C)c1CC(=O)CC1CCCCC1
InChIInChI=1S/C17H24O/c1-13-7-6-8-14(2)17(13)12-16(18)11-15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3
InChIKeyRAPQQRVEDHLVRH-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
1-(2,6-dimethylphenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105123439
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095879
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
1-[1-(aminomethyl)cyclohexyl]-3-(2,6-dimethylphenyl)propan-2-one
CID 116614360

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one (CID 115792622) is 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one is Cc1cccc(C)c1CC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one?
The InChIKey is RAPQQRVEDHLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-13-7-6-8-14(2)17(13)12-16(18)11-15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one?
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one has a molecular weight of 244.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one is sourced from PubChem (CID 115792622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).