nitrosomethoxybenzene

C7H7NO2 — CID 54162998

IUPACnitrosomethoxybenzene
SMILESO=NCOc1ccccc1
InChIInChI=1S/C7H7NO2/c9-8-6-10-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyOPSMVFLASYHLJF-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.79
Rot. Bonds3

About nitrosomethoxybenzene

nitrosomethoxybenzene (PubChem CID 54162998) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is nitrosomethoxybenzene.

Molecular Properties

Compound Namenitrosomethoxybenzene
PubChem CID54162998
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Namenitrosomethoxybenzene
SMILESO=NCOc1ccccc1
InChIInChI=1S/C7H7NO2/c9-8-6-10-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyOPSMVFLASYHLJF-UHFFFAOYSA-N
XLogP1.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze nitrosomethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitrosoethoxybenzene
CID 23511453
ethoxybenzene chloride
CID 21193593
2-phenoxyethylmercury
CID 163598363
2-phenoxyacetic acid;titanium
CID 174896747
phenoxymethanesulfonyl iodide
CID 174484438
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
ethoxybenzene;molecular iodine
CID 67763605
N-(phenoxymethyl)thiohydroxylamine
CID 126590896
2-(2-phenoxyethoxy)ethyl formate
CID 88533287
2-phenoxy-1-pyrazol-1-ylethanone
CID 3347292

Frequently Asked Questions

What is the IUPAC name of nitrosomethoxybenzene?
The IUPAC name of nitrosomethoxybenzene (CID 54162998) is nitrosomethoxybenzene.
What is the SMILES notation for nitrosomethoxybenzene?
The canonical SMILES for nitrosomethoxybenzene is O=NCOc1ccccc1.
What is the InChIKey of nitrosomethoxybenzene?
The InChIKey is OPSMVFLASYHLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-8-6-10-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of nitrosomethoxybenzene?
nitrosomethoxybenzene has a molecular weight of 137.14 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrosomethoxybenzene is sourced from PubChem (CID 54162998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).