3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid

C16H15FO4 — CID 6462606

IUPAC3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C16H15FO4/c1-2-20-15-9-12(16(18)19)6-7-14(15)21-10-11-4-3-5-13(17)8-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyOLQWAAJKACCJQF-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.50
Rot. Bonds6

About 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid

3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid (PubChem CID 6462606) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
PubChem CID6462606
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C16H15FO4/c1-2-20-15-9-12(16(18)19)6-7-14(15)21-10-11-4-3-5-13(17)8-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyOLQWAAJKACCJQF-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 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic 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-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione
CID 4664804
3,4-diethoxy-N-[(E)-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126325507
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
4-[[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid
CID 126396197
4-[[5-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 4766039
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid (CID 6462606) is 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid is CCOc1cc(C(=O)O)ccc1OCc1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid?
The InChIKey is OLQWAAJKACCJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-2-20-15-9-12(16(18)19)6-7-14(15)21-10-11-4-3-5-13(17)8-11/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid?
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic 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 3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 6462606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).