5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol

C9H12FNO3 — CID 117289874

IUPAC5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(CON)c(C)c1O
InChIInChI=1S/C9H12FNO3/c1-5-6(4-14-11)3-7(10)9(13-2)8(5)12/h3,12H,4,11H2,1-2H3
InChIKeyGITXYJCPLUQXKI-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.24
Rot. Bonds3

About 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol

5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol (PubChem CID 117289874) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
PubChem CID117289874
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(CON)c(C)c1O
InChIInChI=1S/C9H12FNO3/c1-5-6(4-14-11)3-7(10)9(13-2)8(5)12/h3,12H,4,11H2,1-2H3
InChIKeyGITXYJCPLUQXKI-UHFFFAOYSA-N
XLogP1.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[(5-fluoro-3-methoxy-2,4-dimethylphenyl)methyl]hydroxylamine
CID 117288503
2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
CID 117284972
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138
5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
CID 117280629
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866

Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol?
The IUPAC name of 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol (CID 117289874) is 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol.
What is the SMILES notation for 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol?
The canonical SMILES for 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol is COc1c(F)cc(CON)c(C)c1O.
What is the InChIKey of 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol?
The InChIKey is GITXYJCPLUQXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-5-6(4-14-11)3-7(10)9(13-2)8(5)12/h3,12H,4,11H2,1-2H3.
What are the key properties of 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol?
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol has a molecular weight of 201.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol is sourced from PubChem (CID 117289874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).