3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid

C14H12FNO3 — CID 102982925

IUPAC3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
SMILESCc1ccc(F)cc1Oc1c(N)cccc1C(=O)O
InChIInChI=1S/C14H12FNO3/c1-8-5-6-9(15)7-12(8)19-13-10(14(17)18)3-2-4-11(13)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyAIJXMGUNBMELOT-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.21
Rot. Bonds3

About 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid

3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid (PubChem CID 102982925) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
PubChem CID102982925
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
SMILESCc1ccc(F)cc1Oc1c(N)cccc1C(=O)O
InChIInChI=1S/C14H12FNO3/c1-8-5-6-9(15)7-12(8)19-13-10(14(17)18)3-2-4-11(13)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyAIJXMGUNBMELOT-UHFFFAOYSA-N
XLogP3.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(2-chloro-5-methylphenoxy)benzoic acid
CID 112579753
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924
ethyl 3-amino-2-(2,4-difluorophenoxy)benzoate
CID 115935561
3-amino-2-(2,4,5-trichlorophenoxy)benzoic acid
CID 115935660
3-amino-2-(2-iodophenoxy)benzoic acid
CID 112579765
ethyl 2-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982941
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
2-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
3-amino-2-methoxybenzoic acid
CID 19849158
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid?
The IUPAC name of 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid (CID 102982925) is 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid.
What is the SMILES notation for 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid?
The canonical SMILES for 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid is Cc1ccc(F)cc1Oc1c(N)cccc1C(=O)O.
What is the InChIKey of 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid?
The InChIKey is AIJXMGUNBMELOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-5-6-9(15)7-12(8)19-13-10(14(17)18)3-2-4-11(13)16/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid?
3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid has a molecular weight of 261.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid is sourced from PubChem (CID 102982925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).