2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol

C9H12FNO3 — CID 84776098

IUPAC2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(F)c1CN(C)O
InChIInChI=1S/C9H12FNO3/c1-11(13)5-6-8(14-2)4-3-7(12)9(6)10/h3-4,12-13H,5H2,1-2H3
InChIKeyUMUZAOPXRBXYID-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.36
Rot. Bonds3

About 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol

2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol (PubChem CID 84776098) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
PubChem CID84776098
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(F)c1CN(C)O
InChIInChI=1S/C9H12FNO3/c1-11(13)5-6-8(14-2)4-3-7(12)9(6)10/h3-4,12-13H,5H2,1-2H3
InChIKeyUMUZAOPXRBXYID-UHFFFAOYSA-N
XLogP1.36
TPSA52.93 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 ≤ 51.36
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

3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776097
N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807297
3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
CID 84792120
N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806414
5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84797746
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567
3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751
4,6-difluoro-7-methoxydibenzofuran-3-ol
CID 118372765
3-[[4-[(2,6-difluoro-3-hydroxyphenyl)methyl-methylamino]butyl-methylamino]methyl]-2,4-difluorophenol
CID 167893226
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041
3-(3-amino-1-hydroxypropyl)-2-fluoro-4-methoxyphenol
CID 84783832

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol (CID 84776098) is 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol is COc1ccc(O)c(F)c1CN(C)O.
What is the InChIKey of 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The InChIKey is UMUZAOPXRBXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-11(13)5-6-8(14-2)4-3-7(12)9(6)10/h3-4,12-13H,5H2,1-2H3.
What are the key properties of 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol has a molecular weight of 201.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 84776098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).