4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid

C16H14F2O4 — CID 67116242

IUPAC4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid
SMILESCCc1cc(F)cc(Oc2ccc(C(=O)O)cc2F)c1OC
InChIInChI=1S/C16H14F2O4/c1-3-9-6-11(17)8-14(15(9)21-2)22-13-5-4-10(16(19)20)7-12(13)18/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyDWZDSJIEZZSYRR-UHFFFAOYSA-N
MW308.28 g/mol
LogP4.03
Rot. Bonds5

About 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid

4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid (PubChem CID 67116242) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid
PubChem CID67116242
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid
SMILESCCc1cc(F)cc(Oc2ccc(C(=O)O)cc2F)c1OC
InChIInChI=1S/C16H14F2O4/c1-3-9-6-11(17)8-14(15(9)21-2)22-13-5-4-10(16(19)20)7-12(13)18/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyDWZDSJIEZZSYRR-UHFFFAOYSA-N
XLogP4.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid
CID 67116046
3-fluoro-4-(2-methoxy-4-methylphenoxy)benzoic acid
CID 28604637
4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
CID 61025742
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 82281962
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
4-(4-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid;4-[4-(4-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoyl]piperazine-2,6-dione;piperidine-3,5-dione;hydrochloride
CID 157155852
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
3-fluoro-4-octoxybenzoic acid;hydrochloride
CID 70117838
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
(E)-1-(3-fluoro-4-methoxyphenyl)pent-2-en-1-one
CID 103454138

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid?
The IUPAC name of 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid (CID 67116242) is 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid?
The canonical SMILES for 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid is CCc1cc(F)cc(Oc2ccc(C(=O)O)cc2F)c1OC.
What is the InChIKey of 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid?
The InChIKey is DWZDSJIEZZSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O4/c1-3-9-6-11(17)8-14(15(9)21-2)22-13-5-4-10(16(19)20)7-12(13)18/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid?
4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid has a molecular weight of 308.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid is sourced from PubChem (CID 67116242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).