[2,2-dichloroethenoxy(methoxy)phosphoryl]methanol

C4H7Cl2O4P — CID 58060964

IUPAC[2,2-dichloroethenoxy(methoxy)phosphoryl]methanol
SMILESCOP(=O)(CO)OC=C(Cl)Cl
InChIInChI=1S/C4H7Cl2O4P/c1-9-11(8,3-7)10-2-4(5)6/h2,7H,3H2,1H3
InChIKeyQIALGGVZTRGCQH-UHFFFAOYSA-N
MW220.98 g/mol
LogP2.07
Rot. Bonds4

About [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol

[2,2-dichloroethenoxy(methoxy)phosphoryl]methanol (PubChem CID 58060964) has the molecular formula C4H7Cl2O4P and a molecular weight of 220.98 g/mol. Its IUPAC name is [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol.

Molecular Properties

Compound Name[2,2-dichloroethenoxy(methoxy)phosphoryl]methanol
PubChem CID58060964
Molecular FormulaC4H7Cl2O4P
Molecular Weight220.98 g/mol
Exact Mass219.95
IUPAC Name[2,2-dichloroethenoxy(methoxy)phosphoryl]methanol
SMILESCOP(=O)(CO)OC=C(Cl)Cl
InChIInChI=1S/C4H7Cl2O4P/c1-9-11(8,3-7)10-2-4(5)6/h2,7H,3H2,1H3
InChIKeyQIALGGVZTRGCQH-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.98
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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Frequently Asked Questions

What is the IUPAC name of [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol?
The IUPAC name of [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol (CID 58060964) is [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol.
What is the SMILES notation for [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol?
The canonical SMILES for [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol is COP(=O)(CO)OC=C(Cl)Cl.
What is the InChIKey of [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol?
The InChIKey is QIALGGVZTRGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O4P/c1-9-11(8,3-7)10-2-4(5)6/h2,7H,3H2,1H3.
What are the key properties of [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol?
[2,2-dichloroethenoxy(methoxy)phosphoryl]methanol has a molecular weight of 220.98 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloroethenoxy(methoxy)phosphoryl]methanol is sourced from PubChem (CID 58060964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).