(Z)-2-chloro-2-dimethoxyphosphorylethenol

C4H8ClO4P — CID 13428115

IUPAC(Z)-2-chloro-2-dimethoxyphosphorylethenol
SMILESCOP(=O)(OC)/C(Cl)=C/O
InChIInChI=1S/C4H8ClO4P/c1-8-10(7,9-2)4(5)3-6/h3,6H,1-2H3/b4-3+
InChIKeyONPBBWQFZLRRMY-ONEGZZNKSA-N
MW186.53 g/mol
LogP2.07
Rot. Bonds3

About (Z)-2-chloro-2-dimethoxyphosphorylethenol

(Z)-2-chloro-2-dimethoxyphosphorylethenol (PubChem CID 13428115) has the molecular formula C4H8ClO4P and a molecular weight of 186.53 g/mol. Its IUPAC name is (Z)-2-chloro-2-dimethoxyphosphorylethenol.

Molecular Properties

Compound Name(Z)-2-chloro-2-dimethoxyphosphorylethenol
PubChem CID13428115
Molecular FormulaC4H8ClO4P
Molecular Weight186.53 g/mol
Exact Mass185.98
IUPAC Name(Z)-2-chloro-2-dimethoxyphosphorylethenol
SMILESCOP(=O)(OC)/C(Cl)=C/O
InChIInChI=1S/C4H8ClO4P/c1-8-10(7,9-2)4(5)3-6/h3,6H,1-2H3/b4-3+
InChIKeyONPBBWQFZLRRMY-ONEGZZNKSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.53
LogP ≤ 52.07
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-di(propan-2-yloxy)phosphorylethenol
CID 13428118
(E)-2-chloroethenol;diethyl phosphate
CID 20838031
2,2-Dichloro-1-diethoxyphosphorylethenol
CID 23262902

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-2-dimethoxyphosphorylethenol?
The IUPAC name of (Z)-2-chloro-2-dimethoxyphosphorylethenol (CID 13428115) is (Z)-2-chloro-2-dimethoxyphosphorylethenol.
What is the SMILES notation for (Z)-2-chloro-2-dimethoxyphosphorylethenol?
The canonical SMILES for (Z)-2-chloro-2-dimethoxyphosphorylethenol is COP(=O)(OC)/C(Cl)=C/O.
What is the InChIKey of (Z)-2-chloro-2-dimethoxyphosphorylethenol?
The InChIKey is ONPBBWQFZLRRMY-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8ClO4P/c1-8-10(7,9-2)4(5)3-6/h3,6H,1-2H3/b4-3+.
What are the key properties of (Z)-2-chloro-2-dimethoxyphosphorylethenol?
(Z)-2-chloro-2-dimethoxyphosphorylethenol has a molecular weight of 186.53 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-2-dimethoxyphosphorylethenol is sourced from PubChem (CID 13428115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).