1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one

C16H22O2 — CID 113390085

IUPAC1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(CCCC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22O2/c1-18-15-11-9-13(10-12-15)5-4-8-16(17)14-6-2-3-7-14/h9-12,14H,2-8H2,1H3
InChIKeyMBVSGTGDMCMSQZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.78
Rot. Bonds6

About 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one

1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one (PubChem CID 113390085) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
PubChem CID113390085
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(CCCC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22O2/c1-18-15-11-9-13(10-12-15)5-4-8-16(17)14-6-2-3-7-14/h9-12,14H,2-8H2,1H3
InChIKeyMBVSGTGDMCMSQZ-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
(3-cyclohexyl-3-oxopropyl)-[(4-methoxyphenyl)methyl]azanium chloride
CID 110184835
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one
CID 65325759
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 119466304
5-(4-methoxyphenyl)pentanamide
CID 134389506
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid
CID 124686357
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
5-(4-methoxyphenyl)pentanoyl chloride
CID 21497235
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one?
The IUPAC name of 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one (CID 113390085) is 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one is COc1ccc(CCCC(=O)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one?
The InChIKey is MBVSGTGDMCMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-15-11-9-13(10-12-15)5-4-8-16(17)14-6-2-3-7-14/h9-12,14H,2-8H2,1H3.
What are the key properties of 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one?
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 113390085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).