2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid

C17H15NO6 — CID 127252915

IUPAC2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid
SMILESCOc1cc(-c2oc3cc(C)[nH]c(=O)c3c2CC(=O)O)ccc1O
InChIInChI=1S/C17H15NO6/c1-8-5-13-15(17(22)18-8)10(7-14(20)21)16(24-13)9-3-4-11(19)12(6-9)23-2/h3-6,19H,7H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyCQZFNEYBFBTQGA-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.44
Rot. Bonds4

About 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid

2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid (PubChem CID 127252915) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid
PubChem CID127252915
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid
SMILESCOc1cc(-c2oc3cc(C)[nH]c(=O)c3c2CC(=O)O)ccc1O
InChIInChI=1S/C17H15NO6/c1-8-5-13-15(17(22)18-8)10(7-14(20)21)16(24-13)9-3-4-11(19)12(6-9)23-2/h3-6,19H,7H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyCQZFNEYBFBTQGA-UHFFFAOYSA-N
XLogP2.44
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid with MolForge

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Related Compounds

3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
2-[2-(6-methoxynaphthalen-2-yl)-4-oxo-5H-furo[3,2-c]quinolin-3-yl]acetic acid
CID 146048783
2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
CID 155486622
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
CID 167110086
2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
CID 135638908
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-(13-hydroxytridecyl)-7-methoxychromen-4-one
CID 68830960
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid
CID 155486643
2-[2-(4-hydroxy-3-methoxycarbonylphenyl)-4-oxofuro[3,2-c]chromen-3-yl]acetic acid
CID 125428588
2-[8-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
CID 171038263
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid (CID 127252915) is 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid is COc1cc(-c2oc3cc(C)[nH]c(=O)c3c2CC(=O)O)ccc1O.
What is the InChIKey of 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid?
The InChIKey is CQZFNEYBFBTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c1-8-5-13-15(17(22)18-8)10(7-14(20)21)16(24-13)9-3-4-11(19)12(6-9)23-2/h3-6,19H,7H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid?
2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid has a molecular weight of 329.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid is sourced from PubChem (CID 127252915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).