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

C17H14O4 — CID 43297113

IUPAC2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
SMILESCC1Cc2cc(C(=O)c3ccccc3C(=O)O)ccc2O1
InChIInChI=1S/C17H14O4/c1-10-8-12-9-11(6-7-15(12)21-10)16(18)13-4-2-3-5-14(13)17(19)20/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyURDJZJNQMDBWJO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.94
Rot. Bonds3

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

2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid (PubChem CID 43297113) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
PubChem CID43297113
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
SMILESCC1Cc2cc(C(=O)c3ccccc3C(=O)O)ccc2O1
InChIInChI=1S/C17H14O4/c1-10-8-12-9-11(6-7-15(12)21-10)16(18)13-4-2-3-5-14(13)17(19)20/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyURDJZJNQMDBWJO-UHFFFAOYSA-N
XLogP2.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid (CID 43297113) is 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid is CC1Cc2cc(C(=O)c3ccccc3C(=O)O)ccc2O1.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid?
The InChIKey is URDJZJNQMDBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-10-8-12-9-11(6-7-15(12)21-10)16(18)13-4-2-3-5-14(13)17(19)20/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid?
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid is sourced from PubChem (CID 43297113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).