2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid

C9H8O4 — CID 69302175

IUPAC2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OC(O)C2
InChIInChI=1S/C9H8O4/c10-8-4-5-1-2-6(9(11)12)3-7(5)13-8/h1-3,8,10H,4H2,(H,11,12)
InChIKeyLCPQWLNKVOYZEI-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.64
Rot. Bonds1

About 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid

2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid (PubChem CID 69302175) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
PubChem CID69302175
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OC(O)C2
InChIInChI=1S/C9H8O4/c10-8-4-5-1-2-6(9(11)12)3-7(5)13-8/h1-3,8,10H,4H2,(H,11,12)
InChIKeyLCPQWLNKVOYZEI-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15546141
2-fluoro-1,3-benzodioxole-5-carboxylic acid
CID 141403033
2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105457500
3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid
CID 175973128
3,5-dihydro-2H-1,4-benzodioxepine-8-carboxylic acid
CID 138111281
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
CID 57367173
1,3-dimethoxy-1,3-dihydro-2-benzofuran-5-carboxylic acid
CID 59824659
(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 124707891
5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
2-(5-carboxy-2,3-dihydro-1-benzofuran-2-yl)propanoate
CID 22118720
2-(difluoromethyl)-3,4-dihydro-2H-chromene-3,6-dicarboxylic acid
CID 165476656

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The IUPAC name of 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid (CID 69302175) is 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid is O=C(O)c1ccc2c(c1)OC(O)C2.
What is the InChIKey of 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The InChIKey is LCPQWLNKVOYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-8-4-5-1-2-6(9(11)12)3-7(5)13-8/h1-3,8,10H,4H2,(H,11,12).
What are the key properties of 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 69302175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).