2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide

C11H15NO4 — CID 163177020

IUPAC2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide
SMILESCOc1cc(C=C[NH+]([O-])O)c(OC)cc1C
InChIInChI=1S/C11H15NO4/c1-8-6-11(16-3)9(4-5-12(13)14)7-10(8)15-2/h4-7,12-13H,1-3H3
InChIKeyXRDPNPJBEBFCIQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.75
Rot. Bonds4

About 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide

2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide (PubChem CID 163177020) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide
PubChem CID163177020
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide
SMILESCOc1cc(C=C[NH+]([O-])O)c(OC)cc1C
InChIInChI=1S/C11H15NO4/c1-8-6-11(16-3)9(4-5-12(13)14)7-10(8)15-2/h4-7,12-13H,1-3H3
InChIKeyXRDPNPJBEBFCIQ-UHFFFAOYSA-N
XLogP0.75
TPSA66.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.75
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

N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine
CID 163177021
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(2,4-dimethoxy-5-methylphenyl)prop-2-enoic acid
CID 67628018
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
3-(2,5-dimethoxy-4-methylphenyl)-2-methylprop-2-enenitrile
CID 59062076
(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine
CID 98017457
1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene
CID 10707027
(E)-3-(4-methoxy-2,5-dimethylphenyl)prop-2-enoic acid
CID 6299093
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide (CID 163177020) is 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide is COc1cc(C=C[NH+]([O-])O)c(OC)cc1C.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide?
The InChIKey is XRDPNPJBEBFCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-6-11(16-3)9(4-5-12(13)14)7-10(8)15-2/h4-7,12-13H,1-3H3.
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide?
2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide has a molecular weight of 225.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide is sourced from PubChem (CID 163177020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).