3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid

C15H13FO4 — CID 57429549

IUPAC3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid
SMILESCOc1c(F)cc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H13FO4/c1-19-14-12(16)7-11(15(17)18)8-13(14)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJIROKJOISFYJFF-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.11
Rot. Bonds5

About 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid

3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid (PubChem CID 57429549) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid
PubChem CID57429549
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid
SMILESCOc1c(F)cc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H13FO4/c1-19-14-12(16)7-11(15(17)18)8-13(14)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJIROKJOISFYJFF-UHFFFAOYSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methoxy-5-phenylmethoxybenzoic 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

Vanillic Acid
CID 8468
Ethylvanillin
CID 8467
Syringic Acid
CID 10742
Veratric Acid
CID 7121
Eugenyl benzoate
CID 62362
3,4,5-Trimethoxybenzoic Acid
CID 8357
Ethyl 3,4-Dihydroxybenzoate
CID 77547
1,3-Benzodioxole-5-carboxylic acid
CID 7196
Vanillin isobutyrate
CID 539829
Vanillin acetate
CID 61229
Methyl Vanillate
CID 19844
Digallic Acid
CID 341

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid?
The IUPAC name of 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid (CID 57429549) is 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid?
The canonical SMILES for 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid is COc1c(F)cc(C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid?
The InChIKey is JIROKJOISFYJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-14-12(16)7-11(15(17)18)8-13(14)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid?
3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 57429549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).