4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid

C15H13FO5 — CID 170440928

IUPAC4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1Oc1ccc(F)cc1
InChIInChI=1S/C15H13FO5/c1-19-12-7-9(15(17)18)8-13(20-2)14(12)21-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,18)
InChIKeySBWXZUMPJBWLFC-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.33
Rot. Bonds5

About 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid

4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid (PubChem CID 170440928) has the molecular formula C15H13FO5 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
PubChem CID170440928
Molecular FormulaC15H13FO5
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1Oc1ccc(F)cc1
InChIInChI=1S/C15H13FO5/c1-19-12-7-9(15(17)18)8-13(20-2)14(12)21-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,18)
InChIKeySBWXZUMPJBWLFC-UHFFFAOYSA-N
XLogP3.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971
3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid
CID 142698609
3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
CID 82039120
3-(4-butylphenoxy)-4,5-dimethoxybenzoic acid
CID 142698612
3-(4-fluorophenoxy)-5-(2-methylpropoxy)benzoic acid
CID 66970051
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
3,5-difluoro-4-(4-propan-2-ylphenoxy)benzoic acid
CID 63460686

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid (CID 170440928) is 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1Oc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid?
The InChIKey is SBWXZUMPJBWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO5/c1-19-12-7-9(15(17)18)8-13(20-2)14(12)21-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid?
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid has a molecular weight of 292.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 170440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).