4-benzoyl-6-ethyl-3-hydroxypyran-2-one

C14H12O4 — CID 137086341

IUPAC4-benzoyl-6-ethyl-3-hydroxypyran-2-one
SMILESCCc1cc(C(=O)c2ccccc2)c(O)c(=O)o1
InChIInChI=1S/C14H12O4/c1-2-10-8-11(13(16)14(17)18-10)12(15)9-6-4-3-5-7-9/h3-8,16H,2H2,1H3
InChIKeyLZMPXWDBHUBNQK-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.14
Rot. Bonds3

About 4-benzoyl-6-ethyl-3-hydroxypyran-2-one

4-benzoyl-6-ethyl-3-hydroxypyran-2-one (PubChem CID 137086341) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-benzoyl-6-ethyl-3-hydroxypyran-2-one.

Molecular Properties

Compound Name4-benzoyl-6-ethyl-3-hydroxypyran-2-one
PubChem CID137086341
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name4-benzoyl-6-ethyl-3-hydroxypyran-2-one
SMILESCCc1cc(C(=O)c2ccccc2)c(O)c(=O)o1
InChIInChI=1S/C14H12O4/c1-2-10-8-11(13(16)14(17)18-10)12(15)9-6-4-3-5-7-9/h3-8,16H,2H2,1H3
InChIKeyLZMPXWDBHUBNQK-UHFFFAOYSA-N
XLogP2.14
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone
CID 21400675
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
3-benzoyl-6-methylpyran-2-one
CID 86099445
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate
CID 86101476
3-benzoyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 135589785
(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 23109188
(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
CID 11277063
[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone
CID 22461767
(3-benzoyl-5-hexyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 516965

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-6-ethyl-3-hydroxypyran-2-one?
The IUPAC name of 4-benzoyl-6-ethyl-3-hydroxypyran-2-one (CID 137086341) is 4-benzoyl-6-ethyl-3-hydroxypyran-2-one.
What is the SMILES notation for 4-benzoyl-6-ethyl-3-hydroxypyran-2-one?
The canonical SMILES for 4-benzoyl-6-ethyl-3-hydroxypyran-2-one is CCc1cc(C(=O)c2ccccc2)c(O)c(=O)o1.
What is the InChIKey of 4-benzoyl-6-ethyl-3-hydroxypyran-2-one?
The InChIKey is LZMPXWDBHUBNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-2-10-8-11(13(16)14(17)18-10)12(15)9-6-4-3-5-7-9/h3-8,16H,2H2,1H3.
What are the key properties of 4-benzoyl-6-ethyl-3-hydroxypyran-2-one?
4-benzoyl-6-ethyl-3-hydroxypyran-2-one has a molecular weight of 244.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-6-ethyl-3-hydroxypyran-2-one is sourced from PubChem (CID 137086341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).