1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one

C19H28O2 — CID 86259898

IUPAC1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one
SMILESCOc1cccc(C(CC(C)C)C(=O)C2CCCCC2)c1
InChIInChI=1S/C19H28O2/c1-14(2)12-18(16-10-7-11-17(13-16)21-3)19(20)15-8-5-4-6-9-15/h7,10-11,13-15,18H,4-6,8-9,12H2,1-3H3
InChIKeyBAIXYWIIJDKCSL-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.97
Rot. Bonds6

About 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one

1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one (PubChem CID 86259898) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one
PubChem CID86259898
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one
SMILESCOc1cccc(C(CC(C)C)C(=O)C2CCCCC2)c1
InChIInChI=1S/C19H28O2/c1-14(2)12-18(16-10-7-11-17(13-16)21-3)19(20)15-8-5-4-6-9-15/h7,10-11,13-15,18H,4-6,8-9,12H2,1-3H3
InChIKeyBAIXYWIIJDKCSL-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30750639

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one?
The IUPAC name of 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one (CID 86259898) is 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one?
The canonical SMILES for 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one is COc1cccc(C(CC(C)C)C(=O)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one?
The InChIKey is BAIXYWIIJDKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-14(2)12-18(16-10-7-11-17(13-16)21-3)19(20)15-8-5-4-6-9-15/h7,10-11,13-15,18H,4-6,8-9,12H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one?
1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one has a molecular weight of 288.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 86259898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).