(E)-1,2-dichloro-1-dimethoxyphosphorylethene

C4H7Cl2O3P — CID 12525124

IUPAC(E)-1,2-dichloro-1-dimethoxyphosphorylethene
SMILESCOP(=O)(OC)/C(Cl)=C\Cl
InChIInChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)4(6)3-5/h3H,1-2H3/b4-3-
InChIKeyLRUSVAKXTCQVHR-ARJAWSKDSA-N
MW204.98 g/mol
LogP2.75
Rot. Bonds3

About (E)-1,2-dichloro-1-dimethoxyphosphorylethene

(E)-1,2-dichloro-1-dimethoxyphosphorylethene (PubChem CID 12525124) has the molecular formula C4H7Cl2O3P and a molecular weight of 204.98 g/mol. Its IUPAC name is (E)-1,2-dichloro-1-dimethoxyphosphorylethene.

Molecular Properties

Compound Name(E)-1,2-dichloro-1-dimethoxyphosphorylethene
PubChem CID12525124
Molecular FormulaC4H7Cl2O3P
Molecular Weight204.98 g/mol
Exact Mass203.95
IUPAC Name(E)-1,2-dichloro-1-dimethoxyphosphorylethene
SMILESCOP(=O)(OC)/C(Cl)=C\Cl
InChIInChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)4(6)3-5/h3H,1-2H3/b4-3-
InChIKeyLRUSVAKXTCQVHR-ARJAWSKDSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-1,2-dichloro-1-dimethoxyphosphorylethene 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

OO-Dime dichlorovinylphosphonate
CID 12525121
(Z)-1,2-dichloro-1-dimethoxyphosphorylethene
CID 12525123
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
(E)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525126
1,2-Dichloroethenyl dimethyl phosphate
CID 20035476
CID 53871011
CID 53871011
4-Chloro-3-dimethoxyphosphorylbuta-1,2-diene
CID 23262893
1-Chloro-1-dimethoxyphosphorylethene
CID 54258510
1,2-Dichloro-3-dimethoxyphosphorylbuta-1,3-diene
CID 85443400
(1E)-1,2-dichloro-3-dimethoxyphosphorylbuta-1,3-diene
CID 12691472
(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene
CID 15564785
Dimethyl (2-chloroethenyl)phosphonate
CID 71392940

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dichloro-1-dimethoxyphosphorylethene?
The IUPAC name of (E)-1,2-dichloro-1-dimethoxyphosphorylethene (CID 12525124) is (E)-1,2-dichloro-1-dimethoxyphosphorylethene.
What is the SMILES notation for (E)-1,2-dichloro-1-dimethoxyphosphorylethene?
The canonical SMILES for (E)-1,2-dichloro-1-dimethoxyphosphorylethene is COP(=O)(OC)/C(Cl)=C\Cl.
What is the InChIKey of (E)-1,2-dichloro-1-dimethoxyphosphorylethene?
The InChIKey is LRUSVAKXTCQVHR-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)4(6)3-5/h3H,1-2H3/b4-3-.
What are the key properties of (E)-1,2-dichloro-1-dimethoxyphosphorylethene?
(E)-1,2-dichloro-1-dimethoxyphosphorylethene has a molecular weight of 204.98 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dichloro-1-dimethoxyphosphorylethene is sourced from PubChem (CID 12525124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).