2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid

C13H12O4 — CID 116918567

IUPAC2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H12O4/c14-12(9-6-10(9)13(15)16)8-1-2-11-7(5-8)3-4-17-11/h1-2,5,9-10H,3-4,6H2,(H,15,16)
InChIKeyDXCBEPXUEMUWLO-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.52
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid

2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 116918567) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID116918567
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H12O4/c14-12(9-6-10(9)13(15)16)8-1-2-11-7(5-8)3-4-17-11/h1-2,5,9-10H,3-4,6H2,(H,15,16)
InChIKeyDXCBEPXUEMUWLO-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 144816963
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone
CID 62799399
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid
CID 116927075
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 116918543
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)cyclohexane-1-carboxylic acid
CID 26595670

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid (CID 116918567) is 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is DXCBEPXUEMUWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-12(9-6-10(9)13(15)16)8-1-2-11-7(5-8)3-4-17-11/h1-2,5,9-10H,3-4,6H2,(H,15,16).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 232.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116918567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).