1-(4-benzoylphenyl)pentan-2-one

C18H18O2 — CID 70524475

IUPAC1-(4-benzoylphenyl)pentan-2-one
SMILESCCCC(=O)Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-6-17(19)13-14-9-11-16(12-10-14)18(20)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3
InChIKeyFVGQLGCOOZCUJS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-benzoylphenyl)pentan-2-one

1-(4-benzoylphenyl)pentan-2-one (PubChem CID 70524475) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-benzoylphenyl)pentan-2-one.

Molecular Properties

Compound Name1-(4-benzoylphenyl)pentan-2-one
PubChem CID70524475
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(4-benzoylphenyl)pentan-2-one
SMILESCCCC(=O)Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-6-17(19)13-14-9-11-16(12-10-14)18(20)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3
InChIKeyFVGQLGCOOZCUJS-UHFFFAOYSA-N
XLogP3.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxopentyl)benzoic acid
CID 23022561
1-(4-benzoylphenyl)-6-(4-methoxyphenyl)hexan-2-one
CID 159204778
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619
1-phenylheptadecan-2-one
CID 12920609
1-(4-methylsulfanylphenyl)pentan-2-one
CID 91656008
diphenylmethanone;propan-1-amine
CID 174497329
ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate
CID 57466037
1,2-diphenylethanone;diphenylmethanone
CID 141067729
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(4-benzoylphenyl)methyl-dimethyl-octadecylazanium
CID 102045081
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenyl)pentan-2-one?
The IUPAC name of 1-(4-benzoylphenyl)pentan-2-one (CID 70524475) is 1-(4-benzoylphenyl)pentan-2-one.
What is the SMILES notation for 1-(4-benzoylphenyl)pentan-2-one?
The canonical SMILES for 1-(4-benzoylphenyl)pentan-2-one is CCCC(=O)Cc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-benzoylphenyl)pentan-2-one?
The InChIKey is FVGQLGCOOZCUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-6-17(19)13-14-9-11-16(12-10-14)18(20)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3.
What are the key properties of 1-(4-benzoylphenyl)pentan-2-one?
1-(4-benzoylphenyl)pentan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenyl)pentan-2-one is sourced from PubChem (CID 70524475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).