2-chloroethoxy methyl hydrogen phosphite

C3H8ClO4P — CID 174638012

IUPAC2-chloroethoxy methyl hydrogen phosphite
SMILESCOP(O)OOCCCl
InChIInChI=1S/C3H8ClO4P/c1-6-9(5)8-7-3-2-4/h5H,2-3H2,1H3
InChIKeyPHZURUDJTHAZNM-UHFFFAOYSA-N
MW174.52 g/mol
LogP1.04
Rot. Bonds5

About 2-chloroethoxy methyl hydrogen phosphite

2-chloroethoxy methyl hydrogen phosphite (PubChem CID 174638012) has the molecular formula C3H8ClO4P and a molecular weight of 174.52 g/mol. Its IUPAC name is 2-chloroethoxy methyl hydrogen phosphite.

Molecular Properties

Compound Name2-chloroethoxy methyl hydrogen phosphite
PubChem CID174638012
Molecular FormulaC3H8ClO4P
Molecular Weight174.52 g/mol
Exact Mass173.98
IUPAC Name2-chloroethoxy methyl hydrogen phosphite
SMILESCOP(O)OOCCCl
InChIInChI=1S/C3H8ClO4P/c1-6-9(5)8-7-3-2-4/h5H,2-3H2,1H3
InChIKeyPHZURUDJTHAZNM-UHFFFAOYSA-N
XLogP1.04
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.52
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;dimethyl hydrogen phosphite;hydride
CID 173436739
2-hydroxyethyl methyl hydrogen phosphite
CID 23415062
dimethyl hydrogen phosphite;formaldehyde
CID 175732180
2-[2-(2-aminoethoxy)ethoxy]ethyl methyl hydrogen phosphite;vanadium
CID 167492403
azane;ethyl methyl hydrogen phosphite
CID 173447260
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
2-chloroethylperoxy-methoxy-oxophosphanium
CID 88898205
hexyl methyl hydrogen phosphite
CID 22731198
ethoxy dihydrogen phosphite
CID 88518120
2-(2-chloroethoxy)ethoxy-trimethylsilane
CID 12686025
2-chloroethylperoxy(ethyl)phosphinic acid
CID 174902353
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602

Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxy methyl hydrogen phosphite?
The IUPAC name of 2-chloroethoxy methyl hydrogen phosphite (CID 174638012) is 2-chloroethoxy methyl hydrogen phosphite.
What is the SMILES notation for 2-chloroethoxy methyl hydrogen phosphite?
The canonical SMILES for 2-chloroethoxy methyl hydrogen phosphite is COP(O)OOCCCl.
What is the InChIKey of 2-chloroethoxy methyl hydrogen phosphite?
The InChIKey is PHZURUDJTHAZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO4P/c1-6-9(5)8-7-3-2-4/h5H,2-3H2,1H3.
What are the key properties of 2-chloroethoxy methyl hydrogen phosphite?
2-chloroethoxy methyl hydrogen phosphite has a molecular weight of 174.52 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy methyl hydrogen phosphite is sourced from PubChem (CID 174638012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).