5-(aminooxymethyl)-4-fluoro-2-methoxyphenol

C8H10FNO3 — CID 117280629

IUPAC5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
SMILESCOc1cc(F)c(CON)cc1O
InChIInChI=1S/C8H10FNO3/c1-12-8-3-6(9)5(4-13-10)2-7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyJXOZRLRKHBDQLO-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.93
Rot. Bonds3

About 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol

5-(aminooxymethyl)-4-fluoro-2-methoxyphenol (PubChem CID 117280629) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
PubChem CID117280629
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
SMILESCOc1cc(F)c(CON)cc1O
InChIInChI=1S/C8H10FNO3/c1-12-8-3-6(9)5(4-13-10)2-7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyJXOZRLRKHBDQLO-UHFFFAOYSA-N
XLogP0.93
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.93
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

4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670
4-(bromomethyl)-5-fluoro-2-methoxyphenol
CID 130756651
4-(aminooxymethyl)-3-fluorophenol
CID 117276067
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
2-(aminooxymethyl)-4-fluorophenol
CID 117276071
4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
CID 77131047
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117289874
propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate
CID 141376208
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464

Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol?
The IUPAC name of 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol (CID 117280629) is 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol.
What is the SMILES notation for 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol?
The canonical SMILES for 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol is COc1cc(F)c(CON)cc1O.
What is the InChIKey of 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol?
The InChIKey is JXOZRLRKHBDQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-12-8-3-6(9)5(4-13-10)2-7(8)11/h2-3,11H,4,10H2,1H3.
What are the key properties of 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol?
5-(aminooxymethyl)-4-fluoro-2-methoxyphenol has a molecular weight of 187.17 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-4-fluoro-2-methoxyphenol is sourced from PubChem (CID 117280629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).