3-benzoyl-6-methylpyran-2-one

C13H10O3 — CID 86099445

IUPAC3-benzoyl-6-methylpyran-2-one
SMILESCc1ccc(C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C13H10O3/c1-9-7-8-11(13(15)16-9)12(14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyRQQRJIHNENZMSX-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.18
Rot. Bonds2

About 3-benzoyl-6-methylpyran-2-one

3-benzoyl-6-methylpyran-2-one (PubChem CID 86099445) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-benzoyl-6-methylpyran-2-one.

Molecular Properties

Compound Name3-benzoyl-6-methylpyran-2-one
PubChem CID86099445
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name3-benzoyl-6-methylpyran-2-one
SMILESCc1ccc(C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C13H10O3/c1-9-7-8-11(13(15)16-9)12(14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyRQQRJIHNENZMSX-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(6-methyl-2-oxopyran-3-yl) acetate
CID 123886346
3-benzoyl-9-methylfuro[2,3-h]chromen-2-one
CID 141465130
4-benzoyl-6-ethyl-3-hydroxypyran-2-one
CID 137086341
phenyl-(2-silylphenyl)methanone
CID 137327642
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
1-benzoylbenzo[c]chromen-6-one
CID 21258648
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6-methylpyran-2-one?
The IUPAC name of 3-benzoyl-6-methylpyran-2-one (CID 86099445) is 3-benzoyl-6-methylpyran-2-one.
What is the SMILES notation for 3-benzoyl-6-methylpyran-2-one?
The canonical SMILES for 3-benzoyl-6-methylpyran-2-one is Cc1ccc(C(=O)c2ccccc2)c(=O)o1.
What is the InChIKey of 3-benzoyl-6-methylpyran-2-one?
The InChIKey is RQQRJIHNENZMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-9-7-8-11(13(15)16-9)12(14)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-benzoyl-6-methylpyran-2-one?
3-benzoyl-6-methylpyran-2-one has a molecular weight of 214.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6-methylpyran-2-one is sourced from PubChem (CID 86099445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).