(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid

C9H8O4 — CID 124707891

IUPAC(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@@H](O)CO2
InChIInChI=1S/C9H8O4/c10-7-4-13-8-2-1-5(9(11)12)3-6(7)8/h1-3,7,10H,4H2,(H,11,12)/t7-/m0/s1
InChIKeyWPJOUHBHNOSJMG-ZETCQYMHSA-N
MW180.16 g/mol
LogP0.81
Rot. Bonds1

About (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid

(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid (PubChem CID 124707891) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
PubChem CID124707891
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@@H](O)CO2
InChIInChI=1S/C9H8O4/c10-7-4-13-8-2-1-5(9(11)12)3-6(7)8/h1-3,7,10H,4H2,(H,11,12)/t7-/m0/s1
InChIKeyWPJOUHBHNOSJMG-ZETCQYMHSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 55294350
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105477435
2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105460163
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
3-cyclohexyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 116837602
3-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
CID 84690366
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
CID 22752339
3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CID 84628137
2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
CID 23533004
3-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 116837587

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The IUPAC name of (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid (CID 124707891) is (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The canonical SMILES for (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2c(c1)[C@@H](O)CO2.
What is the InChIKey of (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The InChIKey is WPJOUHBHNOSJMG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8O4/c10-7-4-13-8-2-1-5(9(11)12)3-6(7)8/h1-3,7,10H,4H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 124707891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).