4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid

C19H13FO5 — CID 175375654

IUPAC4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid
SMILESCc1cc(-c2ccc(F)cc2)c(C(=O)O)c(-c2ccco2)c1C(=O)O
InChIInChI=1S/C19H13FO5/c1-10-9-13(11-4-6-12(20)7-5-11)16(19(23)24)17(15(10)18(21)22)14-3-2-8-25-14/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyBODFRZGLDUWPAY-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.46
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid

4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid (PubChem CID 175375654) has the molecular formula C19H13FO5 and a molecular weight of 340.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid
PubChem CID175375654
Molecular FormulaC19H13FO5
Molecular Weight340.31 g/mol
Exact Mass340.07
IUPAC Name4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid
SMILESCc1cc(-c2ccc(F)cc2)c(C(=O)O)c(-c2ccco2)c1C(=O)O
InChIInChI=1S/C19H13FO5/c1-10-9-13(11-4-6-12(20)7-5-11)16(19(23)24)17(15(10)18(21)22)14-3-2-8-25-14/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyBODFRZGLDUWPAY-UHFFFAOYSA-N
XLogP4.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic 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

4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 91672852
3-(4-fluorophenyl)furan-2-carboxylic acid
CID 19874616
2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid
CID 162534075
3-fluoro-2-(furan-2-yl)benzoic acid
CID 168524438
3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid
CID 142079459
6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 62631831
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
3-(4-fluorophenyl)-4-methyl-1H-pyrrole
CID 142280094
4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid
CID 172876917
5-cyano-2-(furan-2-yl)-3-methylbenzoic acid
CID 168528431
2-bromo-5-(furan-2-yl)-4-methylbenzoic acid
CID 168525376
ethyl 6-(4-fluorophenyl)-2-hydroxy-3,4-diphenylbenzoate
CID 132550879

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid (CID 175375654) is 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid is Cc1cc(-c2ccc(F)cc2)c(C(=O)O)c(-c2ccco2)c1C(=O)O.
What is the InChIKey of 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is BODFRZGLDUWPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO5/c1-10-9-13(11-4-6-12(20)7-5-11)16(19(23)24)17(15(10)18(21)22)14-3-2-8-25-14/h2-9H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid?
4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 340.31 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 175375654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).