2,5-diacetyl-3-phenylchromen-4-one

C19H14O4 — CID 67115420

IUPAC2,5-diacetyl-3-phenylchromen-4-one
SMILESCC(=O)c1oc2cccc(C(C)=O)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C19H14O4/c1-11(20)14-9-6-10-15-17(14)18(22)16(19(23-15)12(2)21)13-7-4-3-5-8-13/h3-10H,1-2H3
InChIKeyFNTJMLAYOUXXRR-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.87
Rot. Bonds3

About 2,5-diacetyl-3-phenylchromen-4-one

2,5-diacetyl-3-phenylchromen-4-one (PubChem CID 67115420) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2,5-diacetyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name2,5-diacetyl-3-phenylchromen-4-one
PubChem CID67115420
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name2,5-diacetyl-3-phenylchromen-4-one
SMILESCC(=O)c1oc2cccc(C(C)=O)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C19H14O4/c1-11(20)14-9-6-10-15-17(14)18(22)16(19(23-15)12(2)21)13-7-4-3-5-8-13/h3-10H,1-2H3
InChIKeyFNTJMLAYOUXXRR-UHFFFAOYSA-N
XLogP3.87
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-4-phenylchromen-2-one
CID 56965161
4-oxo-2-phenylchromene-3,5-dicarboxylic acid
CID 70037924
1-(2-acetyl-1-benzofuran-3-yl)ethanone
CID 11637030
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one
CID 140599559
2-methoxy-5-methyl-3-phenylchromen-4-one
CID 141349160
1-dibenzofuran-4-ylethanone
CID 15691981
2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one
CID 145057403
5-acetyl-8-bromo-3-methyl-2-phenylchromen-4-one
CID 174321566
3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one
CID 161104453
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500

Frequently Asked Questions

What is the IUPAC name of 2,5-diacetyl-3-phenylchromen-4-one?
The IUPAC name of 2,5-diacetyl-3-phenylchromen-4-one (CID 67115420) is 2,5-diacetyl-3-phenylchromen-4-one.
What is the SMILES notation for 2,5-diacetyl-3-phenylchromen-4-one?
The canonical SMILES for 2,5-diacetyl-3-phenylchromen-4-one is CC(=O)c1oc2cccc(C(C)=O)c2c(=O)c1-c1ccccc1.
What is the InChIKey of 2,5-diacetyl-3-phenylchromen-4-one?
The InChIKey is FNTJMLAYOUXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-11(20)14-9-6-10-15-17(14)18(22)16(19(23-15)12(2)21)13-7-4-3-5-8-13/h3-10H,1-2H3.
What are the key properties of 2,5-diacetyl-3-phenylchromen-4-one?
2,5-diacetyl-3-phenylchromen-4-one has a molecular weight of 306.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diacetyl-3-phenylchromen-4-one is sourced from PubChem (CID 67115420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).