2-[chloro(ethoxy)phosphoryl]oxypropane

C5H12ClO3P — CID 19601295

IUPAC2-[chloro(ethoxy)phosphoryl]oxypropane
SMILESCCOP(=O)(Cl)OC(C)C
InChIInChI=1S/C5H12ClO3P/c1-4-8-10(6,7)9-5(2)3/h5H,4H2,1-3H3
InChIKeyIHLAZKWQJCBMFF-UHFFFAOYSA-N
MW186.57 g/mol
LogP2.79
Rot. Bonds4

About 2-[chloro(ethoxy)phosphoryl]oxypropane

2-[chloro(ethoxy)phosphoryl]oxypropane (PubChem CID 19601295) has the molecular formula C5H12ClO3P and a molecular weight of 186.57 g/mol. Its IUPAC name is 2-[chloro(ethoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[chloro(ethoxy)phosphoryl]oxypropane
PubChem CID19601295
Molecular FormulaC5H12ClO3P
Molecular Weight186.57 g/mol
Exact Mass186.02
IUPAC Name2-[chloro(ethoxy)phosphoryl]oxypropane
SMILESCCOP(=O)(Cl)OC(C)C
InChIInChI=1S/C5H12ClO3P/c1-4-8-10(6,7)9-5(2)3/h5H,4H2,1-3H3
InChIKeyIHLAZKWQJCBMFF-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.57
LogP ≤ 52.79
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 2-[chloro(ethoxy)phosphoryl]oxypropane?
The IUPAC name of 2-[chloro(ethoxy)phosphoryl]oxypropane (CID 19601295) is 2-[chloro(ethoxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[chloro(ethoxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[chloro(ethoxy)phosphoryl]oxypropane is CCOP(=O)(Cl)OC(C)C.
What is the InChIKey of 2-[chloro(ethoxy)phosphoryl]oxypropane?
The InChIKey is IHLAZKWQJCBMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO3P/c1-4-8-10(6,7)9-5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-[chloro(ethoxy)phosphoryl]oxypropane?
2-[chloro(ethoxy)phosphoryl]oxypropane has a molecular weight of 186.57 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(ethoxy)phosphoryl]oxypropane is sourced from PubChem (CID 19601295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).