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

C8H10BrNO3 — CID 117372670

IUPAC4-(aminooxymethyl)-5-bromo-2-methoxyphenol
SMILESCOc1cc(CON)c(Br)cc1O
InChIInChI=1S/C8H10BrNO3/c1-12-8-2-5(4-13-10)6(9)3-7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyMAMGREVMFDNNCF-UHFFFAOYSA-N
MW248.08 g/mol
LogP1.55
Rot. Bonds3

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

4-(aminooxymethyl)-5-bromo-2-methoxyphenol (PubChem CID 117372670) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 4-(aminooxymethyl)-5-bromo-2-methoxyphenol.

Molecular Properties

Compound Name4-(aminooxymethyl)-5-bromo-2-methoxyphenol
PubChem CID117372670
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name4-(aminooxymethyl)-5-bromo-2-methoxyphenol
SMILESCOc1cc(CON)c(Br)cc1O
InChIInChI=1S/C8H10BrNO3/c1-12-8-2-5(4-13-10)6(9)3-7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyMAMGREVMFDNNCF-UHFFFAOYSA-N
XLogP1.55
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 51.55
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

5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
CID 117280629
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 115625537
3-(2-bromo-5-hydroxy-4-methoxyphenyl)propanal
CID 117400806
5-(2-aminobutyl)-4-bromo-2-methoxyphenol
CID 170888665
5-bromo-4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-2-methoxyphenol
CID 111122783
5-bromo-4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 111122786
4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
CID 68817319
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-5-bromo-2-methoxyphenol?
The IUPAC name of 4-(aminooxymethyl)-5-bromo-2-methoxyphenol (CID 117372670) is 4-(aminooxymethyl)-5-bromo-2-methoxyphenol.
What is the SMILES notation for 4-(aminooxymethyl)-5-bromo-2-methoxyphenol?
The canonical SMILES for 4-(aminooxymethyl)-5-bromo-2-methoxyphenol is COc1cc(CON)c(Br)cc1O.
What is the InChIKey of 4-(aminooxymethyl)-5-bromo-2-methoxyphenol?
The InChIKey is MAMGREVMFDNNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c1-12-8-2-5(4-13-10)6(9)3-7(8)11/h2-3,11H,4,10H2,1H3.
What are the key properties of 4-(aminooxymethyl)-5-bromo-2-methoxyphenol?
4-(aminooxymethyl)-5-bromo-2-methoxyphenol has a molecular weight of 248.08 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-5-bromo-2-methoxyphenol is sourced from PubChem (CID 117372670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).