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

C13H14O3 — CID 116927075

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H14O3/c14-13(15)11-7-10(11)6-8-1-2-12-9(5-8)3-4-16-12/h1-2,5,10-11H,3-4,6-7H2,(H,14,15)
InChIKeyQGSHZLWUGAFPFW-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.88
Rot. Bonds3

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

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid (PubChem CID 116927075) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid
PubChem CID116927075
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H14O3/c14-13(15)11-7-10(11)6-8-1-2-12-9(5-8)3-4-16-12/h1-2,5,10-11H,3-4,6-7H2,(H,14,15)
InChIKeyQGSHZLWUGAFPFW-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 81008337
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745447
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]cyclobutane-1-carboxylic acid
CID 136583552
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
CID 104545326
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
(3R,4R)-4-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120980227

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid (CID 116927075) is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid?
The InChIKey is QGSHZLWUGAFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-13(15)11-7-10(11)6-8-1-2-12-9(5-8)3-4-16-12/h1-2,5,10-11H,3-4,6-7H2,(H,14,15).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 1.88, 3 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-ylmethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116927075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).