4-(4-fluorophenyl)-2-methylbenzoic acid

C14H11FO2 — CID 46314576

IUPAC4-(4-fluorophenyl)-2-methylbenzoic acid
SMILESCc1cc(-c2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C14H11FO2/c1-9-8-11(4-7-13(9)14(16)17)10-2-5-12(15)6-3-10/h2-8H,1H3,(H,16,17)
InChIKeyOQGWAGBOANMZNX-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.50
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methylbenzoic acid

4-(4-fluorophenyl)-2-methylbenzoic acid (PubChem CID 46314576) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylbenzoic acid
PubChem CID46314576
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name4-(4-fluorophenyl)-2-methylbenzoic acid
SMILESCc1cc(-c2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C14H11FO2/c1-9-8-11(4-7-13(9)14(16)17)10-2-5-12(15)6-3-10/h2-8H,1H3,(H,16,17)
InChIKeyOQGWAGBOANMZNX-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methylbenzoic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-methylbenzoic acid (CID 46314576) is 4-(4-fluorophenyl)-2-methylbenzoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylbenzoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylbenzoic acid is Cc1cc(-c2ccc(F)cc2)ccc1C(=O)O.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylbenzoic acid?
The InChIKey is OQGWAGBOANMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c1-9-8-11(4-7-13(9)14(16)17)10-2-5-12(15)6-3-10/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(4-fluorophenyl)-2-methylbenzoic acid?
4-(4-fluorophenyl)-2-methylbenzoic acid has a molecular weight of 230.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylbenzoic acid is sourced from PubChem (CID 46314576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).