2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane

C11H14ClO3P — CID 13155242

IUPAC2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane
SMILESCCOP(=O)(CC1CO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClO3P/c1-2-15-16(13,8-10-7-14-10)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8H2,1H3
InChIKeyKRWTXRDSQZPAAL-UHFFFAOYSA-N
MW260.66 g/mol
LogP2.68
Rot. Bonds5

About 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane

2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane (PubChem CID 13155242) has the molecular formula C11H14ClO3P and a molecular weight of 260.66 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane
PubChem CID13155242
Molecular FormulaC11H14ClO3P
Molecular Weight260.66 g/mol
Exact Mass260.04
IUPAC Name2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane
SMILESCCOP(=O)(CC1CO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClO3P/c1-2-15-16(13,8-10-7-14-10)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8H2,1H3
InChIKeyKRWTXRDSQZPAAL-UHFFFAOYSA-N
XLogP2.68
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.66
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane?
The IUPAC name of 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane (CID 13155242) is 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane.
What is the SMILES notation for 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane?
The canonical SMILES for 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane is CCOP(=O)(CC1CO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane?
The InChIKey is KRWTXRDSQZPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClO3P/c1-2-15-16(13,8-10-7-14-10)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8H2,1H3.
What are the key properties of 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane?
2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane has a molecular weight of 260.66 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)-ethoxyphosphoryl]methyl]oxirane is sourced from PubChem (CID 13155242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).