2-nitrosoethoxybenzene

C8H9NO2 — CID 23511453

IUPAC2-nitrosoethoxybenzene
SMILESO=NCCOc1ccccc1
InChIInChI=1S/C8H9NO2/c10-9-6-7-11-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIKQYIYHGFZSAAF-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.83
Rot. Bonds4

About 2-nitrosoethoxybenzene

2-nitrosoethoxybenzene (PubChem CID 23511453) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-nitrosoethoxybenzene.

Molecular Properties

Compound Name2-nitrosoethoxybenzene
PubChem CID23511453
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-nitrosoethoxybenzene
SMILESO=NCCOc1ccccc1
InChIInChI=1S/C8H9NO2/c10-9-6-7-11-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIKQYIYHGFZSAAF-UHFFFAOYSA-N
XLogP1.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

nitrosomethoxybenzene
CID 54162998
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4-(4-phenoxybutoxy)butoxybenzene
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1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
2-(2-phenoxyethoxy)ethyl formate
CID 88533287
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
CID 58544227
CID 58544227
2-phenoxyethyl hypobromite
CID 139931807
propoxybenzene;sulfur dioxide
CID 174403655

Frequently Asked Questions

What is the IUPAC name of 2-nitrosoethoxybenzene?
The IUPAC name of 2-nitrosoethoxybenzene (CID 23511453) is 2-nitrosoethoxybenzene.
What is the SMILES notation for 2-nitrosoethoxybenzene?
The canonical SMILES for 2-nitrosoethoxybenzene is O=NCCOc1ccccc1.
What is the InChIKey of 2-nitrosoethoxybenzene?
The InChIKey is IKQYIYHGFZSAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-9-6-7-11-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-nitrosoethoxybenzene?
2-nitrosoethoxybenzene has a molecular weight of 151.16 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosoethoxybenzene is sourced from PubChem (CID 23511453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).