6-[(hydroxyamino)methyl]-2,3-dimethylphenol

C9H13NO2 — CID 117276536

IUPAC6-[(hydroxyamino)methyl]-2,3-dimethylphenol
SMILESCc1ccc(CNO)c(O)c1C
InChIInChI=1S/C9H13NO2/c1-6-3-4-8(5-10-12)9(11)7(6)2/h3-4,10-12H,5H2,1-2H3
InChIKeyBNGBDLRPWPJFCW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.49
Rot. Bonds2

About 6-[(hydroxyamino)methyl]-2,3-dimethylphenol

6-[(hydroxyamino)methyl]-2,3-dimethylphenol (PubChem CID 117276536) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-[(hydroxyamino)methyl]-2,3-dimethylphenol.

Molecular Properties

Compound Name6-[(hydroxyamino)methyl]-2,3-dimethylphenol
PubChem CID117276536
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name6-[(hydroxyamino)methyl]-2,3-dimethylphenol
SMILESCc1ccc(CNO)c(O)c1C
InChIInChI=1S/C9H13NO2/c1-6-3-4-8(5-10-12)9(11)7(6)2/h3-4,10-12H,5H2,1-2H3
InChIKeyBNGBDLRPWPJFCW-UHFFFAOYSA-N
XLogP1.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385241
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol
CID 84795166
2,3-dimethyl-6-octylphenol
CID 141122420
CID 162361510
CID 162361510
N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117280314
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
CID 170885706
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
2-bromo-3-methyl-6-(methylaminomethyl)phenol
CID 84693267
3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
CID 84804289
2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
CID 117276695

Frequently Asked Questions

What is the IUPAC name of 6-[(hydroxyamino)methyl]-2,3-dimethylphenol?
The IUPAC name of 6-[(hydroxyamino)methyl]-2,3-dimethylphenol (CID 117276536) is 6-[(hydroxyamino)methyl]-2,3-dimethylphenol.
What is the SMILES notation for 6-[(hydroxyamino)methyl]-2,3-dimethylphenol?
The canonical SMILES for 6-[(hydroxyamino)methyl]-2,3-dimethylphenol is Cc1ccc(CNO)c(O)c1C.
What is the InChIKey of 6-[(hydroxyamino)methyl]-2,3-dimethylphenol?
The InChIKey is BNGBDLRPWPJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-3-4-8(5-10-12)9(11)7(6)2/h3-4,10-12H,5H2,1-2H3.
What are the key properties of 6-[(hydroxyamino)methyl]-2,3-dimethylphenol?
6-[(hydroxyamino)methyl]-2,3-dimethylphenol has a molecular weight of 167.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(hydroxyamino)methyl]-2,3-dimethylphenol is sourced from PubChem (CID 117276536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).