1-[3-(cyclobutylmethyl)phenyl]ethanone

C13H16O — CID 115017585

IUPAC1-[3-(cyclobutylmethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(CC2CCC2)c1
InChIInChI=1S/C13H16O/c1-10(14)13-7-3-6-12(9-13)8-11-4-2-5-11/h3,6-7,9,11H,2,4-5,8H2,1H3
InChIKeyLGNMPGCYFPCOIQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.23
Rot. Bonds3

About 1-[3-(cyclobutylmethyl)phenyl]ethanone

1-[3-(cyclobutylmethyl)phenyl]ethanone (PubChem CID 115017585) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[3-(cyclobutylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclobutylmethyl)phenyl]ethanone
PubChem CID115017585
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-[3-(cyclobutylmethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(CC2CCC2)c1
InChIInChI=1S/C13H16O/c1-10(14)13-7-3-6-12(9-13)8-11-4-2-5-11/h3,6-7,9,11H,2,4-5,8H2,1H3
InChIKeyLGNMPGCYFPCOIQ-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(thian-3-ylmethyl)phenyl]ethanone
CID 105495401
1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105471558
1-[4-[4-(cyclobutylmethyl)phenyl]phenyl]ethanone
CID 18738048
1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727
3-[2-[3-(cyclohexylmethyl)phenyl]-2-oxoethoxy]-3-methylbutan-2-one
CID 166765175
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
3-(thian-3-ylmethyl)benzoic acid
CID 105498140
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone
CID 171357712

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutylmethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(cyclobutylmethyl)phenyl]ethanone (CID 115017585) is 1-[3-(cyclobutylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(cyclobutylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(cyclobutylmethyl)phenyl]ethanone is CC(=O)c1cccc(CC2CCC2)c1.
What is the InChIKey of 1-[3-(cyclobutylmethyl)phenyl]ethanone?
The InChIKey is LGNMPGCYFPCOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10(14)13-7-3-6-12(9-13)8-11-4-2-5-11/h3,6-7,9,11H,2,4-5,8H2,1H3.
What are the key properties of 1-[3-(cyclobutylmethyl)phenyl]ethanone?
1-[3-(cyclobutylmethyl)phenyl]ethanone has a molecular weight of 188.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutylmethyl)phenyl]ethanone is sourced from PubChem (CID 115017585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).