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

C15H12O3 — CID 4133179

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12O3/c16-15(17)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-18-14/h1-6,9H,7-8H2,(H,16,17)
InChIKeyIMRBSIWCKUFJIP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.99
Rot. Bonds2

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

2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid (PubChem CID 4133179) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
PubChem CID4133179
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12O3/c16-15(17)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-18-14/h1-6,9H,7-8H2,(H,16,17)
InChIKeyIMRBSIWCKUFJIP-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoic acid
CID 66821500
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 83142809

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid (CID 4133179) is 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid is O=C(O)c1ccccc1-c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
The InChIKey is IMRBSIWCKUFJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(17)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-18-14/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid has a molecular weight of 240.26 g/mol, XLogP of 2.99, 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)benzoic acid is sourced from PubChem (CID 4133179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).