3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one

C18H26O2 — CID 115797651

IUPAC3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
SMILESCOc1cc(C)c(C(=O)CCC2CCCCC2)cc1C
InChIInChI=1S/C18H26O2/c1-13-12-18(20-3)14(2)11-16(13)17(19)10-9-15-7-5-4-6-8-15/h11-12,15H,4-10H2,1-3H3
InChIKeyODJSJXJMOPTGTN-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.86
Rot. Bonds5

About 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one

3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one (PubChem CID 115797651) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
PubChem CID115797651
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
SMILESCOc1cc(C)c(C(=O)CCC2CCCCC2)cc1C
InChIInChI=1S/C18H26O2/c1-13-12-18(20-3)14(2)11-16(13)17(19)10-9-15-7-5-4-6-8-15/h11-12,15H,4-10H2,1-3H3
InChIKeyODJSJXJMOPTGTN-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,4-dione
CID 94686157
1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
CID 43339908
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 105127199
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
1-(5-bromo-2-methoxy-4-methylphenyl)-2-cyclohexylethanone
CID 65439529

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one (CID 115797651) is 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one is COc1cc(C)c(C(=O)CCC2CCCCC2)cc1C.
What is the InChIKey of 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
The InChIKey is ODJSJXJMOPTGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-12-18(20-3)14(2)11-16(13)17(19)10-9-15-7-5-4-6-8-15/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one has a molecular weight of 274.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 115797651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).