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

C9H8O4 — CID 22159429

IUPAC5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1cc2c(cc1O)CCO2
InChIInChI=1S/C9H8O4/c10-7-3-5-1-2-13-8(5)4-6(7)9(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKeyCYSADFPMTFVOFV-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.03
Rot. Bonds1

About 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid

5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid (PubChem CID 22159429) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
PubChem CID22159429
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1cc2c(cc1O)CCO2
InChIInChI=1S/C9H8O4/c10-7-3-5-1-2-13-8(5)4-6(7)9(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKeyCYSADFPMTFVOFV-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
CID 153262456
7-[[acetyl(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 59122801
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 83879252
6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484893
7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83886439
6-methylsulfanyl-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 83814911
5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The IUPAC name of 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid (CID 22159429) is 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid is O=C(O)c1cc2c(cc1O)CCO2.
What is the InChIKey of 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The InChIKey is CYSADFPMTFVOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-7-3-5-1-2-13-8(5)4-6(7)9(11)12/h3-4,10H,1-2H2,(H,11,12).
What are the key properties of 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid?
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 22159429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).