8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid

C11H10O5 — CID 58733109

IUPAC8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESCOc1cccc2c1OC(C(=O)O)CC2=O
InChIInChI=1S/C11H10O5/c1-15-8-4-2-3-6-7(12)5-9(11(13)14)16-10(6)8/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyHXRUTJKNKDOBJW-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.11
Rot. Bonds2

About 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid

8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid (PubChem CID 58733109) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid
PubChem CID58733109
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESCOc1cccc2c1OC(C(=O)O)CC2=O
InChIInChI=1S/C11H10O5/c1-15-8-4-2-3-6-7(12)5-9(11(13)14)16-10(6)8/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyHXRUTJKNKDOBJW-UHFFFAOYSA-N
XLogP1.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-8-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70128617
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 10130516
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
8-methoxy-1-(morpholine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 110406848
(3S)-N-(2-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 753364
1-fluoro-8-methoxy-3,4-dioxo-2H-quinoline-2-carboxylic acid;hydrochloride
CID 141007422
(2S,3R)-2-(2,3-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034788
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
7-tert-butyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 175213163

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The IUPAC name of 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid (CID 58733109) is 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The canonical SMILES for 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid is COc1cccc2c1OC(C(=O)O)CC2=O.
What is the InChIKey of 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The InChIKey is HXRUTJKNKDOBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-15-8-4-2-3-6-7(12)5-9(11(13)14)16-10(6)8/h2-4,9H,5H2,1H3,(H,13,14).
What are the key properties of 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 58733109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).