5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

C15H8ClFO3 — CID 142773378

IUPAC5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H8ClFO3/c16-9-3-6-12-11(7-9)13(15(18)19)14(20-12)8-1-4-10(17)5-2-8/h1-7H,(H,18,19)
InChIKeyISEGWEADXXSYNH-UHFFFAOYSA-N
MW290.68 g/mol
LogP4.59
Rot. Bonds2

About 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (PubChem CID 142773378) has the molecular formula C15H8ClFO3 and a molecular weight of 290.68 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
PubChem CID142773378
Molecular FormulaC15H8ClFO3
Molecular Weight290.68 g/mol
Exact Mass290.01
IUPAC Name5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H8ClFO3/c16-9-3-6-12-11(7-9)13(15(18)19)14(20-12)8-1-4-10(17)5-2-8/h1-7H,(H,18,19)
InChIKeyISEGWEADXXSYNH-UHFFFAOYSA-N
XLogP4.59
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
CID 86640863
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
CID 83821470
6-bromo-2-(4-chlorophenyl)-4-oxochromene-3-carboxylic acid
CID 138562057
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773369
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
2-chloro-5-[2-(4-fluorophenyl)-3-formyl-1-benzofuran-5-yl]benzoic acid
CID 88900747
2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
CID 121481080
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (CID 142773378) is 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is O=C(O)c1c(-c2ccc(F)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is ISEGWEADXXSYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFO3/c16-9-3-6-12-11(7-9)13(15(18)19)14(20-12)8-1-4-10(17)5-2-8/h1-7H,(H,18,19).
What are the key properties of 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 290.68 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 142773378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).