3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol

C9H13NO4 — CID 117288363

IUPAC3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(CNO)c1OC
InChIInChI=1S/C9H13NO4/c1-13-8-4-7(11)3-6(5-10-12)9(8)14-2/h3-4,10-12H,5H2,1-2H3
InChIKeyHQQYNOUUUFHZAD-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.89
Rot. Bonds4

About 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol

3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol (PubChem CID 117288363) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol.

Molecular Properties

Compound Name3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
PubChem CID117288363
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(CNO)c1OC
InChIInChI=1S/C9H13NO4/c1-13-8-4-7(11)3-6(5-10-12)9(8)14-2/h3-4,10-12H,5H2,1-2H3
InChIKeyHQQYNOUUUFHZAD-UHFFFAOYSA-N
XLogP0.89
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407160
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117306502

Frequently Asked Questions

What is the IUPAC name of 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol?
The IUPAC name of 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol (CID 117288363) is 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol.
What is the SMILES notation for 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol?
The canonical SMILES for 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol is COc1cc(O)cc(CNO)c1OC.
What is the InChIKey of 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol?
The InChIKey is HQQYNOUUUFHZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-13-8-4-7(11)3-6(5-10-12)9(8)14-2/h3-4,10-12H,5H2,1-2H3.
What are the key properties of 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol?
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol has a molecular weight of 199.21 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol is sourced from PubChem (CID 117288363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).