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

C15H11ClO3 — CID 114024739

IUPAC4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc2c(c1)COC2
InChIInChI=1S/C15H11ClO3/c16-12-3-4-13(15(17)18)14(6-12)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2,(H,17,18)
InChIKeyXXLMADXYDBTMBL-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.74
Rot. Bonds2

About 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid

4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid (PubChem CID 114024739) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid
PubChem CID114024739
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc2c(c1)COC2
InChIInChI=1S/C15H11ClO3/c16-12-3-4-13(15(17)18)14(6-12)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2,(H,17,18)
InChIKeyXXLMADXYDBTMBL-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
4-chloro-2-phenylbenzoic acid
CID 11424784
3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid
CID 107957695
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
[5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
CID 66155912
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
4-chloro-2-(4-cyclobutylphenyl)benzoic acid
CID 107989871
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid?
The IUPAC name of 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid (CID 114024739) is 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid?
The canonical SMILES for 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid is O=C(O)c1ccc(Cl)cc1-c1ccc2c(c1)COC2.
What is the InChIKey of 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid?
The InChIKey is XXLMADXYDBTMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-12-3-4-13(15(17)18)14(6-12)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2,(H,17,18).
What are the key properties of 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid?
4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid has a molecular weight of 274.70 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid is sourced from PubChem (CID 114024739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).