O-(2,5-dimethoxyphenyl)hydroxylamine

C8H11NO3 — CID 117273124

IUPACO-(2,5-dimethoxyphenyl)hydroxylamine
SMILESCOc1ccc(OC)c(ON)c1
InChIInChI=1S/C8H11NO3/c1-10-6-3-4-7(11-2)8(5-6)12-9/h3-5H,9H2,1-2H3
InChIKeyXWMQUFLAVWELDA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.96
Rot. Bonds3

About O-(2,5-dimethoxyphenyl)hydroxylamine

O-(2,5-dimethoxyphenyl)hydroxylamine (PubChem CID 117273124) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is O-(2,5-dimethoxyphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(2,5-dimethoxyphenyl)hydroxylamine
PubChem CID117273124
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameO-(2,5-dimethoxyphenyl)hydroxylamine
SMILESCOc1ccc(OC)c(ON)c1
InChIInChI=1S/C8H11NO3/c1-10-6-3-4-7(11-2)8(5-6)12-9/h3-5H,9H2,1-2H3
InChIKeyXWMQUFLAVWELDA-UHFFFAOYSA-N
XLogP0.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
2,4,6-trimethoxynaphthalen-1-amine
CID 123693588
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641

Frequently Asked Questions

What is the IUPAC name of O-(2,5-dimethoxyphenyl)hydroxylamine?
The IUPAC name of O-(2,5-dimethoxyphenyl)hydroxylamine (CID 117273124) is O-(2,5-dimethoxyphenyl)hydroxylamine.
What is the SMILES notation for O-(2,5-dimethoxyphenyl)hydroxylamine?
The canonical SMILES for O-(2,5-dimethoxyphenyl)hydroxylamine is COc1ccc(OC)c(ON)c1.
What is the InChIKey of O-(2,5-dimethoxyphenyl)hydroxylamine?
The InChIKey is XWMQUFLAVWELDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-10-6-3-4-7(11-2)8(5-6)12-9/h3-5H,9H2,1-2H3.
What are the key properties of O-(2,5-dimethoxyphenyl)hydroxylamine?
O-(2,5-dimethoxyphenyl)hydroxylamine has a molecular weight of 169.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,5-dimethoxyphenyl)hydroxylamine is sourced from PubChem (CID 117273124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).