5-fluoro-2-(2-methoxyphenoxy)benzoic acid

C14H11FO4 — CID 43313324

IUPAC5-fluoro-2-(2-methoxyphenoxy)benzoic acid
SMILESCOc1ccccc1Oc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H11FO4/c1-18-12-4-2-3-5-13(12)19-11-7-6-9(15)8-10(11)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyMYUSEQKFGWSATR-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.32
Rot. Bonds4

About 5-fluoro-2-(2-methoxyphenoxy)benzoic acid

5-fluoro-2-(2-methoxyphenoxy)benzoic acid (PubChem CID 43313324) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyphenoxy)benzoic acid
PubChem CID43313324
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name5-fluoro-2-(2-methoxyphenoxy)benzoic acid
SMILESCOc1ccccc1Oc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H11FO4/c1-18-12-4-2-3-5-13(12)19-11-7-6-9(15)8-10(11)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyMYUSEQKFGWSATR-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

2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
2-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 107957266
1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
CID 11673282
5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
CID 115298212
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
CID 115298124

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyphenoxy)benzoic acid?
The IUPAC name of 5-fluoro-2-(2-methoxyphenoxy)benzoic acid (CID 43313324) is 5-fluoro-2-(2-methoxyphenoxy)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-methoxyphenoxy)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2-methoxyphenoxy)benzoic acid is COc1ccccc1Oc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(2-methoxyphenoxy)benzoic acid?
The InChIKey is MYUSEQKFGWSATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c1-18-12-4-2-3-5-13(12)19-11-7-6-9(15)8-10(11)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-(2-methoxyphenoxy)benzoic acid?
5-fluoro-2-(2-methoxyphenoxy)benzoic 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 5-fluoro-2-(2-methoxyphenoxy)benzoic acid is sourced from PubChem (CID 43313324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).