5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol

C8H10BrNO3 — CID 117372651

IUPAC5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNO)c(Br)cc1O
InChIInChI=1S/C8H10BrNO3/c1-13-8-2-5(4-10-12)6(9)3-7(8)11/h2-3,10-12H,4H2,1H3
InChIKeyKHLFPKFWUGUJCQ-UHFFFAOYSA-N
MW248.08 g/mol
LogP1.64
Rot. Bonds3

About 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol

5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol (PubChem CID 117372651) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
PubChem CID117372651
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNO)c(Br)cc1O
InChIInChI=1S/C8H10BrNO3/c1-13-8-2-5(4-10-12)6(9)3-7(8)11/h2-3,10-12H,4H2,1H3
InChIKeyKHLFPKFWUGUJCQ-UHFFFAOYSA-N
XLogP1.64
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 51.64
H-Bond Donors ≤ 53
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-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 115625537
5-bromo-4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-2-methoxyphenol
CID 111122783
4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
5-bromo-4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 111122786
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
5-bromo-4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-2-methoxyphenol
CID 111579393
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
4-hydroxy-2-[(hydroxyamino)methyl]-5-methoxybenzaldehyde
CID 117286677
4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
CID 68817319
5-bromo-4-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]-2-methoxyphenol
CID 167973223
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol?
The IUPAC name of 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol (CID 117372651) is 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol is COc1cc(CNO)c(Br)cc1O.
What is the InChIKey of 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol?
The InChIKey is KHLFPKFWUGUJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c1-13-8-2-5(4-10-12)6(9)3-7(8)11/h2-3,10-12H,4H2,1H3.
What are the key properties of 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol?
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol has a molecular weight of 248.08 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 117372651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).