2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid

C15H10O8 — CID 146539510

IUPAC2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid
SMILESO=C(O)CC1OC(=O)C=C1c1coc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C15H10O8/c16-6-1-9(17)14-11(2-6)22-5-8(15(14)21)7-3-13(20)23-10(7)4-12(18)19/h1-3,5,10,16-17H,4H2,(H,18,19)
InChIKeyWCBPHJBEXLHKFC-UHFFFAOYSA-N
MW318.24 g/mol
LogP0.99
Rot. Bonds3

About 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid

2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid (PubChem CID 146539510) has the molecular formula C15H10O8 and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid
PubChem CID146539510
Molecular FormulaC15H10O8
Molecular Weight318.24 g/mol
Exact Mass318.04
IUPAC Name2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid
SMILESO=C(O)CC1OC(=O)C=C1c1coc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C15H10O8/c16-6-1-9(17)14-11(2-6)22-5-8(15(14)21)7-3-13(20)23-10(7)4-12(18)19/h1-3,5,10,16-17H,4H2,(H,18,19)
InChIKeyWCBPHJBEXLHKFC-UHFFFAOYSA-N
XLogP0.99
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic 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

CID 66722646
CID 66722646
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
5,7-dihydroxy-4-oxochromene-3-carbaldehyde
CID 130033161
3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 90876444
5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
CID 71459473
5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
CID 5413046
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
ethyl 5,7-dihydroxy-4-oxochromene-3-carboxylate
CID 46886209
2-(3-bromo-5-oxo-2H-furan-2-yl)acetic acid
CID 14602994
(2R,3R,4R,5S,6R)-6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 124934066
5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
CID 11013649

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid?
The IUPAC name of 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid (CID 146539510) is 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid is O=C(O)CC1OC(=O)C=C1c1coc2cc(O)cc(O)c2c1=O.
What is the InChIKey of 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid?
The InChIKey is WCBPHJBEXLHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O8/c16-6-1-9(17)14-11(2-6)22-5-8(15(14)21)7-3-13(20)23-10(7)4-12(18)19/h1-3,5,10,16-17H,4H2,(H,18,19).
What are the key properties of 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid?
2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid has a molecular weight of 318.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,7-dihydroxy-4-oxochromen-3-yl)-5-oxo-2H-furan-2-yl]acetic acid is sourced from PubChem (CID 146539510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).