1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one

C17H24O — CID 24726322

IUPAC1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H24O/c1-13-8-9-15(14(2)12-13)10-11-17(18)16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyLZWHAMVGCFTGLE-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.39
Rot. Bonds4

About 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one

1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one (PubChem CID 24726322) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
PubChem CID24726322
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H24O/c1-13-8-9-15(14(2)12-13)10-11-17(18)16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyLZWHAMVGCFTGLE-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

3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82294914
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
CID 63351672
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one?
The IUPAC name of 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one (CID 24726322) is 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one is Cc1ccc(CCC(=O)C2CCCCC2)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one?
The InChIKey is LZWHAMVGCFTGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-13-8-9-15(14(2)12-13)10-11-17(18)16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one?
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-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-(2,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).