1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid

C10H8O4 — CID 126753067

IUPAC1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid
SMILESC=C1OC(O)c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H8O4/c1-5-8-4-6(9(11)12)2-3-7(8)10(13)14-5/h2-4,10,13H,1H2,(H,11,12)
InChIKeyXFZBIFUPQKPCNL-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.38
Rot. Bonds1

About 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid

1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid (PubChem CID 126753067) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid
PubChem CID126753067
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid
SMILESC=C1OC(O)c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H8O4/c1-5-8-4-6(9(11)12)2-3-7(8)10(13)14-5/h2-4,10,13H,1H2,(H,11,12)
InChIKeyXFZBIFUPQKPCNL-UHFFFAOYSA-N
XLogP1.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
CID 163933343
1,3-dimethoxy-1,3-dihydro-2-benzofuran-5-carboxylic acid
CID 59824659
2-fluoro-1,3-benzodioxole-5-carboxylic acid
CID 141403033
2-methyl-1,3-benzodioxole-5-carboxylic acid
CID 15546141
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid
CID 91616035
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17(22),18,20,23,25,27-dodecaene-5,13,19-tricarboxylic acid
CID 132821383
(1R,2S,9R,10S)-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17,19,21,23,25,27-dodecaene-5,14-dicarboxylic acid
CID 11597449
(1S,8S)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 102582744
(1R,8R)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 101172499

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid?
The IUPAC name of 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid (CID 126753067) is 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid?
The canonical SMILES for 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid is C=C1OC(O)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid?
The InChIKey is XFZBIFUPQKPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-5-8-4-6(9(11)12)2-3-7(8)10(13)14-5/h2-4,10,13H,1H2,(H,11,12).
What are the key properties of 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid?
1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid is sourced from PubChem (CID 126753067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).