2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid

C16H11FO3 — CID 114731641

IUPAC2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid
SMILESCc1ccc2oc(-c3ccc(C(=O)O)c(F)c3)cc2c1
InChIInChI=1S/C16H11FO3/c1-9-2-5-14-11(6-9)8-15(20-14)10-3-4-12(16(18)19)13(17)7-10/h2-8H,1H3,(H,18,19)
InChIKeyDZAFMWOIMRXMRT-UHFFFAOYSA-N
MW270.26 g/mol
LogP4.25
Rot. Bonds2

About 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid

2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid (PubChem CID 114731641) has the molecular formula C16H11FO3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid
PubChem CID114731641
Molecular FormulaC16H11FO3
Molecular Weight270.26 g/mol
Exact Mass270.07
IUPAC Name2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid
SMILESCc1ccc2oc(-c3ccc(C(=O)O)c(F)c3)cc2c1
InChIInChI=1S/C16H11FO3/c1-9-2-5-14-11(6-9)8-15(20-14)10-3-4-12(16(18)19)13(17)7-10/h2-8H,1H3,(H,18,19)
InChIKeyDZAFMWOIMRXMRT-UHFFFAOYSA-N
XLogP4.25
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
CID 53211098
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
CID 114731830
3-(5-fluoro-1-benzofuran-2-yl)-5-methylbenzoic acid
CID 114731715
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(5-bromo-1-benzofuran-2-yl)boronic acid;5-bromo-2-(4-bromo-3-fluorophenyl)-1-benzofuran;1-bromo-2-fluoro-4-methylbenzene
CID 167697935
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568
5-(5-methyl-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 115109944
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
2-methyl-5-(4-methylphenyl)furan-3-carboxylic acid
CID 2794742
2-fluoro-4-(4-methylthiophen-2-yl)benzoic acid
CID 53445563

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid (CID 114731641) is 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid is Cc1ccc2oc(-c3ccc(C(=O)O)c(F)c3)cc2c1.
What is the InChIKey of 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid?
The InChIKey is DZAFMWOIMRXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3/c1-9-2-5-14-11(6-9)8-15(20-14)10-3-4-12(16(18)19)13(17)7-10/h2-8H,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid?
2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid has a molecular weight of 270.26 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid is sourced from PubChem (CID 114731641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).