6-acetyl-3-ethyl-2-phenylchromen-4-one

C19H16O3 — CID 13308875

IUPAC6-acetyl-3-ethyl-2-phenylchromen-4-one
SMILESCCc1c(-c2ccccc2)oc2ccc(C(C)=O)cc2c1=O
InChIInChI=1S/C19H16O3/c1-3-15-18(21)16-11-14(12(2)20)9-10-17(16)22-19(15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyIACVGPBVQKPQRQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.22
Rot. Bonds3

About 6-acetyl-3-ethyl-2-phenylchromen-4-one

6-acetyl-3-ethyl-2-phenylchromen-4-one (PubChem CID 13308875) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-acetyl-3-ethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-acetyl-3-ethyl-2-phenylchromen-4-one
PubChem CID13308875
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name6-acetyl-3-ethyl-2-phenylchromen-4-one
SMILESCCc1c(-c2ccccc2)oc2ccc(C(C)=O)cc2c1=O
InChIInChI=1S/C19H16O3/c1-3-15-18(21)16-11-14(12(2)20)9-10-17(16)22-19(15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyIACVGPBVQKPQRQ-UHFFFAOYSA-N
XLogP4.22
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diethyl-2,6-diphenylpyran-4-one
CID 59161433
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075
3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one
CID 175502832
3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one
CID 152720481
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid
CID 134588362
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
(6-bromo-4-oxo-2-phenylchromen-3-yl) acetate
CID 23792598
7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid
CID 23347467
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-ethyl-2-phenylchromen-4-one?
The IUPAC name of 6-acetyl-3-ethyl-2-phenylchromen-4-one (CID 13308875) is 6-acetyl-3-ethyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-acetyl-3-ethyl-2-phenylchromen-4-one?
The canonical SMILES for 6-acetyl-3-ethyl-2-phenylchromen-4-one is CCc1c(-c2ccccc2)oc2ccc(C(C)=O)cc2c1=O.
What is the InChIKey of 6-acetyl-3-ethyl-2-phenylchromen-4-one?
The InChIKey is IACVGPBVQKPQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-3-15-18(21)16-11-14(12(2)20)9-10-17(16)22-19(15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 6-acetyl-3-ethyl-2-phenylchromen-4-one?
6-acetyl-3-ethyl-2-phenylchromen-4-one has a molecular weight of 292.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-ethyl-2-phenylchromen-4-one is sourced from PubChem (CID 13308875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).