3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate

C15H8FO4- — CID 86640863

IUPAC3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccc([O-])cc12
InChIInChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)14-13(15(18)19)11-7-10(17)5-6-12(11)20-14/h1-7,17H,(H,18,19)/p-1
InChIKeyHZIKQUPQHICAGZ-UHFFFAOYSA-M
MW271.22 g/mol
LogP3.01
Rot. Bonds2

About 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate

3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate (PubChem CID 86640863) has the molecular formula C15H8FO4- and a molecular weight of 271.22 g/mol. Its IUPAC name is 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate.

Molecular Properties

Compound Name3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
PubChem CID86640863
Molecular FormulaC15H8FO4-
Molecular Weight271.22 g/mol
Exact Mass271.04
IUPAC Name3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccc([O-])cc12
InChIInChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)14-13(15(18)19)11-7-10(17)5-6-12(11)20-14/h1-7,17H,(H,18,19)/p-1
InChIKeyHZIKQUPQHICAGZ-UHFFFAOYSA-M
XLogP3.01
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
5-cyclopropyl-2-(4-fluorophenyl)-6-nitro-1-benzofuran-3-carboxylic acid
CID 141091885
6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773369
2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
CID 121481080
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
6-[(dimethylamino)methyl]-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773399
6-(diethylamino)-5-ethoxy-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773431
methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate
CID 150397518

Frequently Asked Questions

What is the IUPAC name of 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate?
The IUPAC name of 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate (CID 86640863) is 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate.
What is the SMILES notation for 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate?
The canonical SMILES for 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate is O=C(O)c1c(-c2ccc(F)cc2)oc2ccc([O-])cc12.
What is the InChIKey of 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate?
The InChIKey is HZIKQUPQHICAGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)14-13(15(18)19)11-7-10(17)5-6-12(11)20-14/h1-7,17H,(H,18,19)/p-1.
What are the key properties of 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate?
3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate has a molecular weight of 271.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate is sourced from PubChem (CID 86640863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).