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

C12H12O3 — CID 43810297

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc2c(c1)CCO2
InChIInChI=1S/C12H12O3/c13-12(14)10-6-9(10)7-1-2-11-8(5-7)3-4-15-11/h1-2,5,9-10H,3-4,6H2,(H,13,14)
InChIKeyCRXSXVJDTKEBKS-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.81
Rot. Bonds2

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

2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 43810297) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
PubChem CID43810297
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc2c(c1)CCO2
InChIInChI=1S/C12H12O3/c13-12(14)10-6-9(10)7-1-2-11-8(5-7)3-4-15-11/h1-2,5,9-10H,3-4,6H2,(H,13,14)
InChIKeyCRXSXVJDTKEBKS-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexane-1-carboxylic acid
CID 104545126
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid
CID 116927075
4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid
CID 82624016
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 81008337
(2S,3R)-2-benzyl-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
CID 142120770
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid (CID 43810297) is 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is CRXSXVJDTKEBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-12(14)10-6-9(10)7-1-2-11-8(5-7)3-4-15-11/h1-2,5,9-10H,3-4,6H2,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 43810297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).