1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene

C5H9Cl2O3P — CID 23262846

IUPAC1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene
SMILESCCOP(=O)(Cl)OC(C)=CCl
InChIInChI=1S/C5H9Cl2O3P/c1-3-9-11(7,8)10-5(2)4-6/h4H,3H2,1-2H3
InChIKeyPMPYSCOADLIHDT-UHFFFAOYSA-N
MW219.00 g/mol
LogP3.49
Rot. Bonds4

About 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene

1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene (PubChem CID 23262846) has the molecular formula C5H9Cl2O3P and a molecular weight of 219.00 g/mol. Its IUPAC name is 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene
PubChem CID23262846
Molecular FormulaC5H9Cl2O3P
Molecular Weight219.00 g/mol
Exact Mass217.97
IUPAC Name1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene
SMILESCCOP(=O)(Cl)OC(C)=CCl
InChIInChI=1S/C5H9Cl2O3P/c1-3-9-11(7,8)10-5(2)4-6/h4H,3H2,1-2H3
InChIKeyPMPYSCOADLIHDT-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.00
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-chloroprop-1-en-2-yl diethyl phosphate
CID 23272667
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
(E)-1-chloro-3-diethoxyphosphoryl-2-methylsulfanylprop-1-ene
CID 14788100
1-chloro-1-diethoxyphosphorylethene
CID 11481045
[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate
CID 23269188
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 23272868
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
CID 2785374
ethyl 3-diethoxyphosphoryloxybut-2-enoate
CID 21883
acetic acid;triethyl phosphate
CID 161446956
(E)-1-diethoxyphosphoryl-3-methylpent-3-en-1-yne
CID 5370224
2-dichlorophosphoryl-1-ethoxyprop-1-ene
CID 71447152

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene (CID 23262846) is 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene is CCOP(=O)(Cl)OC(C)=CCl.
What is the InChIKey of 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene?
The InChIKey is PMPYSCOADLIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O3P/c1-3-9-11(7,8)10-5(2)4-6/h4H,3H2,1-2H3.
What are the key properties of 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene?
1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene has a molecular weight of 219.00 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 23262846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).