4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid

C9H8O4 — CID 14494068

IUPAC4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)C1Cc2c(O)cccc2O1
InChIInChI=1S/C9H8O4/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-3,8,10H,4H2,(H,11,12)
InChIKeyGIONEURRRSIANW-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.78
Rot. Bonds1

About 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid

4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (PubChem CID 14494068) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
PubChem CID14494068
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)C1Cc2c(O)cccc2O1
InChIInChI=1S/C9H8O4/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-3,8,10H,4H2,(H,11,12)
InChIKeyGIONEURRRSIANW-UHFFFAOYSA-N
XLogP0.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 165466053
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
4,6-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 139885956
(2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol
CID 143772338
4-amino-7-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 82373096
2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol
CID 134691344
3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol
CID 130385268
[(2S,3R)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
CID 166479708
2-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117198906
4,5-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84620861
4-oxooxetane-2-carboxylic acid
CID 55299922
2,3-dihydro-1,4-benzoxazine-2,4-dicarboxylic acid
CID 91423295

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (CID 14494068) is 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is O=C(O)C1Cc2c(O)cccc2O1.
What is the InChIKey of 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The InChIKey is GIONEURRRSIANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-3,8,10H,4H2,(H,11,12).
What are the key properties of 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 14494068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).