1-[chloro(ethoxy)phosphoryl]propane

C5H12ClO2P — CID 12960626

IUPAC1-[chloro(ethoxy)phosphoryl]propane
SMILESCCCP(=O)(Cl)OCC
InChIInChI=1S/C5H12ClO2P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyHFIHQPNFPPBMOZ-UHFFFAOYSA-N
MW170.58 g/mol
LogP2.86
Rot. Bonds4

About 1-[chloro(ethoxy)phosphoryl]propane

1-[chloro(ethoxy)phosphoryl]propane (PubChem CID 12960626) has the molecular formula C5H12ClO2P and a molecular weight of 170.58 g/mol. Its IUPAC name is 1-[chloro(ethoxy)phosphoryl]propane.

Molecular Properties

Compound Name1-[chloro(ethoxy)phosphoryl]propane
PubChem CID12960626
Molecular FormulaC5H12ClO2P
Molecular Weight170.58 g/mol
Exact Mass170.03
IUPAC Name1-[chloro(ethoxy)phosphoryl]propane
SMILESCCCP(=O)(Cl)OCC
InChIInChI=1S/C5H12ClO2P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyHFIHQPNFPPBMOZ-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.58
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(ethoxy)phosphoryl]propane?
The IUPAC name of 1-[chloro(ethoxy)phosphoryl]propane (CID 12960626) is 1-[chloro(ethoxy)phosphoryl]propane.
What is the SMILES notation for 1-[chloro(ethoxy)phosphoryl]propane?
The canonical SMILES for 1-[chloro(ethoxy)phosphoryl]propane is CCCP(=O)(Cl)OCC.
What is the InChIKey of 1-[chloro(ethoxy)phosphoryl]propane?
The InChIKey is HFIHQPNFPPBMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO2P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3.
What are the key properties of 1-[chloro(ethoxy)phosphoryl]propane?
1-[chloro(ethoxy)phosphoryl]propane has a molecular weight of 170.58 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(ethoxy)phosphoryl]propane is sourced from PubChem (CID 12960626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).