7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid

C11H8O6 — CID 13188007

IUPAC7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
SMILESCOc1cc2c(=O)c(C(=O)O)coc2cc1O
InChIInChI=1S/C11H8O6/c1-16-9-2-5-8(3-7(9)12)17-4-6(10(5)13)11(14)15/h2-4,12H,1H3,(H,14,15)
InChIKeyFCYMJXKGDRPLJL-UHFFFAOYSA-N
MW236.18 g/mol
LogP1.21
Rot. Bonds2

About 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid

7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid (PubChem CID 13188007) has the molecular formula C11H8O6 and a molecular weight of 236.18 g/mol. Its IUPAC name is 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
PubChem CID13188007
Molecular FormulaC11H8O6
Molecular Weight236.18 g/mol
Exact Mass236.03
IUPAC Name7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
SMILESCOc1cc2c(=O)c(C(=O)O)coc2cc1O
InChIInChI=1S/C11H8O6/c1-16-9-2-5-8(3-7(9)12)17-4-6(10(5)13)11(14)15/h2-4,12H,1H3,(H,14,15)
InChIKeyFCYMJXKGDRPLJL-UHFFFAOYSA-N
XLogP1.21
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
CID 16743458
7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
CID 169433907
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
(7-acetyloxy-3-carbamoyl-4-oxochromen-6-yl) acetate
CID 149158228
5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
CID 166609347
6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
CID 54164435
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
5,6-dimethyl-1-benzofuran-3-carboxylic acid
CID 75458261
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid?
The IUPAC name of 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid (CID 13188007) is 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid.
What is the SMILES notation for 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid?
The canonical SMILES for 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid is COc1cc2c(=O)c(C(=O)O)coc2cc1O.
What is the InChIKey of 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid?
The InChIKey is FCYMJXKGDRPLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O6/c1-16-9-2-5-8(3-7(9)12)17-4-6(10(5)13)11(14)15/h2-4,12H,1H3,(H,14,15).
What are the key properties of 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid?
7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid is sourced from PubChem (CID 13188007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).