4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid

C19H16O7 — CID 21270150

IUPAC4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1coc2c(OC)c(OC)ccc2c1=O
InChIInChI=1S/C19H16O7/c1-23-14-7-6-12-16(20)13(9-26-17(12)18(14)25-3)11-5-4-10(19(21)22)8-15(11)24-2/h4-9H,1-3H3,(H,21,22)
InChIKeyROEHCLBWDOMNCS-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.18
Rot. Bonds5

About 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid

4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid (PubChem CID 21270150) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid
PubChem CID21270150
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1coc2c(OC)c(OC)ccc2c1=O
InChIInChI=1S/C19H16O7/c1-23-14-7-6-12-16(20)13(9-26-17(12)18(14)25-3)11-5-4-10(19(21)22)8-15(11)24-2/h4-9H,1-3H3,(H,21,22)
InChIKeyROEHCLBWDOMNCS-UHFFFAOYSA-N
XLogP3.18
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid 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

3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801
3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
2-[4-(7,8-dimethoxy-4-oxochromen-3-yl)phenoxy]acetic acid
CID 54135854
CID 170734664
CID 170734664
7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 740724
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-[3-(10-fluorodecyl)phenyl]-7,8-dimethoxychromen-4-one
CID 170734650
3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
CID 23577995
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
3,4,6-trimethoxy-5-oxobenzo[7]annulene-8-carboxylic acid
CID 155525328
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid?
The IUPAC name of 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid (CID 21270150) is 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1-c1coc2c(OC)c(OC)ccc2c1=O.
What is the InChIKey of 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid?
The InChIKey is ROEHCLBWDOMNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c1-23-14-7-6-12-16(20)13(9-26-17(12)18(14)25-3)11-5-4-10(19(21)22)8-15(11)24-2/h4-9H,1-3H3,(H,21,22).
What are the key properties of 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid?
4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid has a molecular weight of 356.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid is sourced from PubChem (CID 21270150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).