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

C14H12FNO3 — CID 107660000

IUPAC4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
SMILESCc1cccc(Oc2cc(N)ccc2C(=O)O)c1F
InChIInChI=1S/C14H12FNO3/c1-8-3-2-4-11(13(8)15)19-12-7-9(16)5-6-10(12)14(17)18/h2-7H,16H2,1H3,(H,17,18)
InChIKeyOVUBIMKLCCMIDK-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.21
Rot. Bonds3

About 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid

4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid (PubChem CID 107660000) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
PubChem CID107660000
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
SMILESCc1cccc(Oc2cc(N)ccc2C(=O)O)c1F
InChIInChI=1S/C14H12FNO3/c1-8-3-2-4-11(13(8)15)19-12-7-9(16)5-6-10(12)14(17)18/h2-7H,16H2,1H3,(H,17,18)
InChIKeyOVUBIMKLCCMIDK-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

4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116688642
4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
CID 107655538
3-amino-2-(2-fluoro-3-methylphenoxy)pyridine-4-carboxylic acid
CID 107659996
4-chloro-2-(2,3-difluorophenoxy)benzoic acid
CID 63082872
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
3-bromo-4-(2-fluoro-3-methylphenoxy)benzoic acid
CID 107661525
3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
CID 174895889
2-amino-5-(2-fluoro-3-methylphenoxy)benzamide
CID 107659972
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid?
The IUPAC name of 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid (CID 107660000) is 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid.
What is the SMILES notation for 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid?
The canonical SMILES for 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid is Cc1cccc(Oc2cc(N)ccc2C(=O)O)c1F.
What is the InChIKey of 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid?
The InChIKey is OVUBIMKLCCMIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-3-2-4-11(13(8)15)19-12-7-9(16)5-6-10(12)14(17)18/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid?
4-amino-2-(2-fluoro-3-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 4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid is sourced from PubChem (CID 107660000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).