2-(4-fluorophenyl)-5-methoxybenzoic acid

C14H11FO3 — CID 15461737

IUPAC2-(4-fluorophenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(F)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H11FO3/c1-18-11-6-7-12(13(8-11)14(16)17)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,17)
InChIKeyUKLVWYMXGFTUOT-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.20
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methoxybenzoic acid

2-(4-fluorophenyl)-5-methoxybenzoic acid (PubChem CID 15461737) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxybenzoic acid
PubChem CID15461737
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name2-(4-fluorophenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(F)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H11FO3/c1-18-11-6-7-12(13(8-11)14(16)17)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,17)
InChIKeyUKLVWYMXGFTUOT-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methoxybenzoic acid?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxybenzoic acid (CID 15461737) is 2-(4-fluorophenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxybenzoic acid is COc1ccc(-c2ccc(F)cc2)c(C(=O)O)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxybenzoic acid?
The InChIKey is UKLVWYMXGFTUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-11-6-7-12(13(8-11)14(16)17)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-5-methoxybenzoic acid?
2-(4-fluorophenyl)-5-methoxybenzoic acid has a molecular weight of 246.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 15461737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).