chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium

C7H16Cl2O4P+ — CID 21493293

IUPACchloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium
SMILESCCC(O)O[P+](=O)OCCCl.CCCl
InChIInChI=1S/C5H11ClO4P.C2H5Cl/c1-2-5(7)10-11(8)9-4-3-6;1-2-3/h5,7H,2-4H2,1H3;2H2,1H3/q+1;
InChIKeyPPBMNJPYWVHUOD-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.89
Rot. Bonds6

About chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium

chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium (PubChem CID 21493293) has the molecular formula C7H16Cl2O4P+ and a molecular weight of 266.08 g/mol. Its IUPAC name is chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium.

Molecular Properties

Compound Namechloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium
PubChem CID21493293
Molecular FormulaC7H16Cl2O4P+
Molecular Weight266.08 g/mol
Exact Mass265.02
IUPAC Namechloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium
SMILESCCC(O)O[P+](=O)OCCCl.CCCl
InChIInChI=1S/C5H11ClO4P.C2H5Cl/c1-2-5(7)10-11(8)9-4-3-6;1-2-3/h5,7H,2-4H2,1H3;2H2,1H3/q+1;
InChIKeyPPBMNJPYWVHUOD-UHFFFAOYSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium 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

bis(2-chloroethoxy)-oxophosphanium;chloroethane
CID 88520254
chloroethane;2-chloroethoxy-(1-hydroxy-1,2,2-tripropoxypropoxy)-oxophosphanium
CID 21493302
bis(3-methylpentoxy)-oxophosphanium
CID 174765578
bis(4-hydroxyhexan-3-yloxy)-oxophosphanium
CID 91487781
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
3-chloro-1-pentoxypropan-1-ol
CID 174943404
4-methylpentoxy-oxo-propoxyphosphanium
CID 170366726
2-chloroethylperoxy-methoxy-oxophosphanium
CID 88898205
butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium
CID 175143094
1-hydroxypropyl acetate
CID 21275092
1-propoxypropan-1-ol;hydrate
CID 174406445

Frequently Asked Questions

What is the IUPAC name of chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium?
The IUPAC name of chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium (CID 21493293) is chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium.
What is the SMILES notation for chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium?
The canonical SMILES for chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium is CCC(O)O[P+](=O)OCCCl.CCCl.
What is the InChIKey of chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium?
The InChIKey is PPBMNJPYWVHUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO4P.C2H5Cl/c1-2-5(7)10-11(8)9-4-3-6;1-2-3/h5,7H,2-4H2,1H3;2H2,1H3/q+1;.
What are the key properties of chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium?
chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium has a molecular weight of 266.08 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium is sourced from PubChem (CID 21493293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).