1-[chloro(methoxy)phosphoryl]oxyethane

C3H8ClO3P — CID 12705480

IUPAC1-[chloro(methoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(Cl)OC
InChIInChI=1S/C3H8ClO3P/c1-3-7-8(4,5)6-2/h3H2,1-2H3
InChIKeyDVONRBMAMGOSLY-UHFFFAOYSA-N
MW158.52 g/mol
LogP2.02
Rot. Bonds3

About 1-[chloro(methoxy)phosphoryl]oxyethane

1-[chloro(methoxy)phosphoryl]oxyethane (PubChem CID 12705480) has the molecular formula C3H8ClO3P and a molecular weight of 158.52 g/mol. Its IUPAC name is 1-[chloro(methoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[chloro(methoxy)phosphoryl]oxyethane
PubChem CID12705480
Molecular FormulaC3H8ClO3P
Molecular Weight158.52 g/mol
Exact Mass157.99
IUPAC Name1-[chloro(methoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(Cl)OC
InChIInChI=1S/C3H8ClO3P/c1-3-7-8(4,5)6-2/h3H2,1-2H3
InChIKeyDVONRBMAMGOSLY-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.52
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[chloro(methoxy)phosphoryl]oxyethane (CID 12705480) is 1-[chloro(methoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[chloro(methoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[chloro(methoxy)phosphoryl]oxyethane is CCOP(=O)(Cl)OC.
What is the InChIKey of 1-[chloro(methoxy)phosphoryl]oxyethane?
The InChIKey is DVONRBMAMGOSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO3P/c1-3-7-8(4,5)6-2/h3H2,1-2H3.
What are the key properties of 1-[chloro(methoxy)phosphoryl]oxyethane?
1-[chloro(methoxy)phosphoryl]oxyethane has a molecular weight of 158.52 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methoxy)phosphoryl]oxyethane is sourced from PubChem (CID 12705480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).