4-(4-fluorophenoxy)-3-methoxybenzoic acid

C14H11FO4 — CID 170440931

IUPAC4-(4-fluorophenoxy)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C14H11FO4/c1-18-13-8-9(14(16)17)2-7-12(13)19-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,17)
InChIKeyJBVAHSSJUNWEQL-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.32
Rot. Bonds4

About 4-(4-fluorophenoxy)-3-methoxybenzoic acid

4-(4-fluorophenoxy)-3-methoxybenzoic acid (PubChem CID 170440931) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3-methoxybenzoic acid
PubChem CID170440931
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name4-(4-fluorophenoxy)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C14H11FO4/c1-18-13-8-9(14(16)17)2-7-12(13)19-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,17)
InChIKeyJBVAHSSJUNWEQL-UHFFFAOYSA-N
XLogP3.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
3,4-diphenoxybenzoic acid
CID 70590459
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
3-fluoro-4-(2-methoxy-4-methylphenoxy)benzoic acid
CID 28604637
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-3-methoxybenzoic acid?
The IUPAC name of 4-(4-fluorophenoxy)-3-methoxybenzoic acid (CID 170440931) is 4-(4-fluorophenoxy)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(4-fluorophenoxy)-3-methoxybenzoic acid?
The canonical SMILES for 4-(4-fluorophenoxy)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Oc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-3-methoxybenzoic acid?
The InChIKey is JBVAHSSJUNWEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c1-18-13-8-9(14(16)17)2-7-12(13)19-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(4-fluorophenoxy)-3-methoxybenzoic acid?
4-(4-fluorophenoxy)-3-methoxybenzoic acid has a molecular weight of 262.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3-methoxybenzoic acid is sourced from PubChem (CID 170440931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).