2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid

C16H15FO4 — CID 107014311

IUPAC2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
SMILESCCOc1ccccc1COc1cc(F)ccc1C(=O)O
InChIInChI=1S/C16H15FO4/c1-2-20-14-6-4-3-5-11(14)10-21-15-9-12(17)7-8-13(15)16(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyZLIOUNXXOOEPMD-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.50
Rot. Bonds6

About 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid

2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid (PubChem CID 107014311) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
PubChem CID107014311
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
SMILESCCOc1ccccc1COc1cc(F)ccc1C(=O)O
InChIInChI=1S/C16H15FO4/c1-2-20-14-6-4-3-5-11(14)10-21-15-9-12(17)7-8-13(15)16(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyZLIOUNXXOOEPMD-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic 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

3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
2-[(2-bromo-3-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014584
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid (CID 107014311) is 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid is CCOc1ccccc1COc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid?
The InChIKey is ZLIOUNXXOOEPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-2-20-14-6-4-3-5-11(14)10-21-15-9-12(17)7-8-13(15)16(18)19/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid?
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid is sourced from PubChem (CID 107014311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).