1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one

C17H24O2 — CID 123909157

IUPAC1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
SMILESCOc1cccc(C(C)CC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13(15-9-6-10-16(12-15)19-2)11-17(18)14-7-4-3-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3
InChIKeyXDJOFRABDPRAEV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds5

About 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one

1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one (PubChem CID 123909157) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
PubChem CID123909157
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
SMILESCOc1cccc(C(C)CC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13(15-9-6-10-16(12-15)19-2)11-17(18)14-7-4-3-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3
InChIKeyXDJOFRABDPRAEV-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one
CID 86259898
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
CID 119481601
(3S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 97018474
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
1-cyclohexyl-3-(2,6-dimethyl-4-pyridinyl)butan-1-one
CID 21279020
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304184
(1S,5S)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304186

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one?
The IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one (CID 123909157) is 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one is COc1cccc(C(C)CC(=O)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one?
The InChIKey is XDJOFRABDPRAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(15-9-6-10-16(12-15)19-2)11-17(18)14-7-4-3-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one?
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one is sourced from PubChem (CID 123909157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).