3-benzoyl-6-methoxychromen-4-one

C17H12O4 — CID 747889

IUPAC3-benzoyl-6-methoxychromen-4-one
SMILESCOc1ccc2occ(C(=O)c3ccccc3)c(=O)c2c1
InChIInChI=1S/C17H12O4/c1-20-12-7-8-15-13(9-12)17(19)14(10-21-15)16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyXUHFFQNJQMGUEB-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.03
Rot. Bonds3

About 3-benzoyl-6-methoxychromen-4-one

3-benzoyl-6-methoxychromen-4-one (PubChem CID 747889) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-benzoyl-6-methoxychromen-4-one.

Molecular Properties

Compound Name3-benzoyl-6-methoxychromen-4-one
PubChem CID747889
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name3-benzoyl-6-methoxychromen-4-one
SMILESCOc1ccc2occ(C(=O)c3ccccc3)c(=O)c2c1
InChIInChI=1S/C17H12O4/c1-20-12-7-8-15-13(9-12)17(19)14(10-21-15)16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyXUHFFQNJQMGUEB-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzoyl-6-methoxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one
CID 139885740
(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone
CID 3140654
3-(4-tert-butylbenzoyl)chromen-4-one
CID 775972
CID 175499515
CID 175499515
CID 172864174
CID 172864174
[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
CID 132521712
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide
CID 71830426
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]urea
CID 6878010

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6-methoxychromen-4-one?
The IUPAC name of 3-benzoyl-6-methoxychromen-4-one (CID 747889) is 3-benzoyl-6-methoxychromen-4-one.
What is the SMILES notation for 3-benzoyl-6-methoxychromen-4-one?
The canonical SMILES for 3-benzoyl-6-methoxychromen-4-one is COc1ccc2occ(C(=O)c3ccccc3)c(=O)c2c1.
What is the InChIKey of 3-benzoyl-6-methoxychromen-4-one?
The InChIKey is XUHFFQNJQMGUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-20-12-7-8-15-13(9-12)17(19)14(10-21-15)16(18)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 3-benzoyl-6-methoxychromen-4-one?
3-benzoyl-6-methoxychromen-4-one has a molecular weight of 280.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6-methoxychromen-4-one is sourced from PubChem (CID 747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).