(E)-2-chloro-2-diethoxyphosphorylethenol

C6H12ClO4P — CID 23266248

IUPAC(E)-2-chloro-2-diethoxyphosphorylethenol
SMILESCCOP(=O)(OCC)/C(Cl)=C\O
InChIInChI=1S/C6H12ClO4P/c1-3-10-12(9,11-4-2)6(7)5-8/h5,8H,3-4H2,1-2H3/b6-5-
InChIKeyZHFDBIUYDABMFB-WAYWQWQTSA-N
MW214.58 g/mol
LogP2.85
Rot. Bonds5

About (E)-2-chloro-2-diethoxyphosphorylethenol

(E)-2-chloro-2-diethoxyphosphorylethenol (PubChem CID 23266248) has the molecular formula C6H12ClO4P and a molecular weight of 214.58 g/mol. Its IUPAC name is (E)-2-chloro-2-diethoxyphosphorylethenol.

Molecular Properties

Compound Name(E)-2-chloro-2-diethoxyphosphorylethenol
PubChem CID23266248
Molecular FormulaC6H12ClO4P
Molecular Weight214.58 g/mol
Exact Mass214.02
IUPAC Name(E)-2-chloro-2-diethoxyphosphorylethenol
SMILESCCOP(=O)(OCC)/C(Cl)=C\O
InChIInChI=1S/C6H12ClO4P/c1-3-10-12(9,11-4-2)6(7)5-8/h5,8H,3-4H2,1-2H3/b6-5-
InChIKeyZHFDBIUYDABMFB-WAYWQWQTSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.58
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphonic acid, (1-chloroethenyl)-, diethyl ester
CID 11481045
Cbhvwqjjpsrhip-aatrikpksa-
CID 23262907
2-[1-Chloroethenyl(2-hydroxyethoxy)phosphoryl]oxyethanol
CID 20396376
[2,2-Dichloroethenoxy(methoxy)phosphoryl]methanol
CID 58060964
1-Chloroethenyl(ethoxy)phosphinic acid
CID 88764233
1-Chloroethenyl diethyl phosphate
CID 140557885
2,2-Dichloroethenyl dimethyl phosphate;ethanol
CID 163872989
1-Diethoxyphosphorylethenol
CID 12734784
(Z)-2-chloro-2-diethoxyphosphorylethenol
CID 13249108
(Z)-2-chloro-2-dimethoxyphosphorylethenol
CID 13428115
(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenol
CID 13428118
(E)-2-chloroethenol;diethyl phosphate
CID 20838031

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-2-diethoxyphosphorylethenol?
The IUPAC name of (E)-2-chloro-2-diethoxyphosphorylethenol (CID 23266248) is (E)-2-chloro-2-diethoxyphosphorylethenol.
What is the SMILES notation for (E)-2-chloro-2-diethoxyphosphorylethenol?
The canonical SMILES for (E)-2-chloro-2-diethoxyphosphorylethenol is CCOP(=O)(OCC)/C(Cl)=C\O.
What is the InChIKey of (E)-2-chloro-2-diethoxyphosphorylethenol?
The InChIKey is ZHFDBIUYDABMFB-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12ClO4P/c1-3-10-12(9,11-4-2)6(7)5-8/h5,8H,3-4H2,1-2H3/b6-5-.
What are the key properties of (E)-2-chloro-2-diethoxyphosphorylethenol?
(E)-2-chloro-2-diethoxyphosphorylethenol has a molecular weight of 214.58 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-2-diethoxyphosphorylethenol is sourced from PubChem (CID 23266248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).