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

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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).