2-fluoro-4-phenylmethoxycarbonylbenzoic acid

C15H11FO4 — CID 59295092

IUPAC2-fluoro-4-phenylmethoxycarbonylbenzoic acid
SMILESO=C(OCc1ccccc1)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H11FO4/c16-13-8-11(6-7-12(13)14(17)18)15(19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyHQJXVLQMRWNEEF-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.88
Rot. Bonds4

About 2-fluoro-4-phenylmethoxycarbonylbenzoic acid

2-fluoro-4-phenylmethoxycarbonylbenzoic acid (PubChem CID 59295092) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-fluoro-4-phenylmethoxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-phenylmethoxycarbonylbenzoic acid
PubChem CID59295092
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name2-fluoro-4-phenylmethoxycarbonylbenzoic acid
SMILESO=C(OCc1ccccc1)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H11FO4/c16-13-8-11(6-7-12(13)14(17)18)15(19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyHQJXVLQMRWNEEF-UHFFFAOYSA-N
XLogP2.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-phenylmethoxycarbonylbenzoic 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-phenylmethoxycarbonylphenyl)boronic acid
CID 71742045
2-phenylmethoxycarbonylterephthalic acid
CID 69248635
dibenzyl 4-aminobenzene-1,3-dicarboxylate
CID 166736545
benzyl benzoate
CID 2345
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
dibenzyl 2-nitrobenzene-1,4-dicarboxylate
CID 162412906
benzyl 3-hydroxybenzoate
CID 11736317
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
4-(3-carboxy-2-hydroxy-6-phenylmethoxycarbonylnaphthalen-1-yl)-3-hydroxy-7-phenylmethoxycarbonylnaphthalene-2-carboxylic acid
CID 129035660
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682624

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-phenylmethoxycarbonylbenzoic acid?
The IUPAC name of 2-fluoro-4-phenylmethoxycarbonylbenzoic acid (CID 59295092) is 2-fluoro-4-phenylmethoxycarbonylbenzoic acid.
What is the SMILES notation for 2-fluoro-4-phenylmethoxycarbonylbenzoic acid?
The canonical SMILES for 2-fluoro-4-phenylmethoxycarbonylbenzoic acid is O=C(OCc1ccccc1)c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-phenylmethoxycarbonylbenzoic acid?
The InChIKey is HQJXVLQMRWNEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4/c16-13-8-11(6-7-12(13)14(17)18)15(19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-fluoro-4-phenylmethoxycarbonylbenzoic acid?
2-fluoro-4-phenylmethoxycarbonylbenzoic acid has a molecular weight of 274.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-phenylmethoxycarbonylbenzoic acid is sourced from PubChem (CID 59295092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).