2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite

C10H12ClNO5 — CID 163874008

IUPAC2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
SMILESO=[N+]([O-])c1ccccc1OCCOCCOCl
InChIInChI=1S/C10H12ClNO5/c11-17-8-6-15-5-7-16-10-4-2-1-3-9(10)12(13)14/h1-4H,5-8H2
InChIKeyPNGXCJQDDFDAPR-UHFFFAOYSA-N
MW261.66 g/mol
LogP2.16
Rot. Bonds8

About 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite

2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite (PubChem CID 163874008) has the molecular formula C10H12ClNO5 and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite.

Molecular Properties

Compound Name2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
PubChem CID163874008
Molecular FormulaC10H12ClNO5
Molecular Weight261.66 g/mol
Exact Mass261.04
IUPAC Name2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
SMILESO=[N+]([O-])c1ccccc1OCCOCCOCl
InChIInChI=1S/C10H12ClNO5/c11-17-8-6-15-5-7-16-10-4-2-1-3-9(10)12(13)14/h1-4H,5-8H2
InChIKeyPNGXCJQDDFDAPR-UHFFFAOYSA-N
XLogP2.16
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite 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

1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
trimethyl-[3-(2-nitrophenoxy)propyl]azanium
CID 57430028
1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
CID 3758923
5-(2-nitrophenoxy)pentanoic acid
CID 28971679

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite?
The IUPAC name of 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite (CID 163874008) is 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite.
What is the SMILES notation for 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite?
The canonical SMILES for 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite is O=[N+]([O-])c1ccccc1OCCOCCOCl.
What is the InChIKey of 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite?
The InChIKey is PNGXCJQDDFDAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5/c11-17-8-6-15-5-7-16-10-4-2-1-3-9(10)12(13)14/h1-4H,5-8H2.
What are the key properties of 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite?
2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite has a molecular weight of 261.66 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite is sourced from PubChem (CID 163874008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).