2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid

C19H16O6 — CID 13288116

IUPAC2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid
SMILESCOc1cccc(-c2oc3c(C(=O)O)cccc3c(=O)c2C)c1OC
InChIInChI=1S/C19H16O6/c1-10-15(20)11-6-4-8-13(19(21)22)17(11)25-16(10)12-7-5-9-14(23-2)18(12)24-3/h4-9H,1-3H3,(H,21,22)
InChIKeyAAVYMPQPEONHMH-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.48
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid

2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid (PubChem CID 13288116) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid
PubChem CID13288116
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid
SMILESCOc1cccc(-c2oc3c(C(=O)O)cccc3c(=O)c2C)c1OC
InChIInChI=1S/C19H16O6/c1-10-15(20)11-6-4-8-13(19(21)22)17(11)25-16(10)12-7-5-9-14(23-2)18(12)24-3/h4-9H,1-3H3,(H,21,22)
InChIKeyAAVYMPQPEONHMH-UHFFFAOYSA-N
XLogP3.48
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104
3-methyl-2-[2-(oxiran-2-ylmethyl)phenyl]-4-oxochromene-8-carboxylic acid
CID 88698580
3-methyl-4-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)chromene-8-carboxylic acid
CID 46782248
ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288110
N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
2-(dimethylcarbamoyl)-3-methyl-4-oxochromene-8-carboxylic acid
CID 22452556
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
3-[6-(3-carboxy-2-methoxyphenyl)dibenzofuran-4-yl]-2-methoxybenzoic acid
CID 154983457
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972581

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid (CID 13288116) is 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid is COc1cccc(-c2oc3c(C(=O)O)cccc3c(=O)c2C)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid?
The InChIKey is AAVYMPQPEONHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-10-15(20)11-6-4-8-13(19(21)22)17(11)25-16(10)12-7-5-9-14(23-2)18(12)24-3/h4-9H,1-3H3,(H,21,22).
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid?
2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid has a molecular weight of 340.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid is sourced from PubChem (CID 13288116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).