5-(3-acetylphenyl)pentan-2-one

C13H16O2 — CID 11052734

IUPAC5-(3-acetylphenyl)pentan-2-one
SMILESCC(=O)CCCc1cccc(C(C)=O)c1
InChIInChI=1S/C13H16O2/c1-10(14)5-3-6-12-7-4-8-13(9-12)11(2)15/h4,7-9H,3,5-6H2,1-2H3
InChIKeyWGUUZYWHMIMOPT-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.80
Rot. Bonds5

About 5-(3-acetylphenyl)pentan-2-one

5-(3-acetylphenyl)pentan-2-one (PubChem CID 11052734) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(3-acetylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-(3-acetylphenyl)pentan-2-one
PubChem CID11052734
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-(3-acetylphenyl)pentan-2-one
SMILESCC(=O)CCCc1cccc(C(C)=O)c1
InChIInChI=1S/C13H16O2/c1-10(14)5-3-6-12-7-4-8-13(9-12)11(2)15/h4,7-9H,3,5-6H2,1-2H3
InChIKeyWGUUZYWHMIMOPT-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-(3-hydroxyphenyl)pentan-2-one
CID 142810997
1-(3-acetylphenyl)propan-2-one
CID 12950417
8-(3-acetylphenyl)octanal
CID 177486037
5-phenylpentan-2-one
CID 16701
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
1-(3-prop-2-ynylphenyl)ethanone
CID 45086131
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
6-[3-(2,2-dibromoethenyl)phenyl]hexan-2-one
CID 122606761
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)pentan-2-one?
The IUPAC name of 5-(3-acetylphenyl)pentan-2-one (CID 11052734) is 5-(3-acetylphenyl)pentan-2-one.
What is the SMILES notation for 5-(3-acetylphenyl)pentan-2-one?
The canonical SMILES for 5-(3-acetylphenyl)pentan-2-one is CC(=O)CCCc1cccc(C(C)=O)c1.
What is the InChIKey of 5-(3-acetylphenyl)pentan-2-one?
The InChIKey is WGUUZYWHMIMOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(14)5-3-6-12-7-4-8-13(9-12)11(2)15/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of 5-(3-acetylphenyl)pentan-2-one?
5-(3-acetylphenyl)pentan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)pentan-2-one is sourced from PubChem (CID 11052734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).