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

C9H8O3 — CID 676583

IUPAC2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11)
InChIKeyYXYOLVAXVPOIMA-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.32
Rot. Bonds1

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

2,3-dihydro-1-benzofuran-5-carboxylic acid (PubChem CID 676583) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-carboxylic acid
PubChem CID676583
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11)
InChIKeyYXYOLVAXVPOIMA-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
3,4-dihydro-1,2-benzodioxine-6-carboxylic acid
CID 174794354
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzoic acid
CID 116927154
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-carboxylic acid?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-carboxylic acid (CID 676583) is 2,3-dihydro-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-carboxylic acid?
The InChIKey is YXYOLVAXVPOIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11).
What are the key properties of 2,3-dihydro-1-benzofuran-5-carboxylic acid?
2,3-dihydro-1-benzofuran-5-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 676583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).