[ethyl(triphenyl)-lambda5-phosphanyl] acetate

C22H23O2P — CID 14767691

IUPAC[ethyl(triphenyl)-lambda5-phosphanyl] acetate
SMILESCCP(OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2P/c1-3-25(24-19(2)23,20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
InChIKeyPPYQNGZABNGKDD-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.01
Rot. Bonds5

About [ethyl(triphenyl)-lambda5-phosphanyl] acetate

[ethyl(triphenyl)-lambda5-phosphanyl] acetate (PubChem CID 14767691) has the molecular formula C22H23O2P and a molecular weight of 350.40 g/mol. Its IUPAC name is [ethyl(triphenyl)-lambda5-phosphanyl] acetate.

Molecular Properties

Compound Name[ethyl(triphenyl)-lambda5-phosphanyl] acetate
PubChem CID14767691
Molecular FormulaC22H23O2P
Molecular Weight350.40 g/mol
Exact Mass350.14
IUPAC Name[ethyl(triphenyl)-lambda5-phosphanyl] acetate
SMILESCCP(OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2P/c1-3-25(24-19(2)23,20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
InChIKeyPPYQNGZABNGKDD-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [ethyl(triphenyl)-lambda5-phosphanyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [ethyl(triphenyl)-lambda5-phosphanyl] acetate?
The IUPAC name of [ethyl(triphenyl)-lambda5-phosphanyl] acetate (CID 14767691) is [ethyl(triphenyl)-lambda5-phosphanyl] acetate.
What is the SMILES notation for [ethyl(triphenyl)-lambda5-phosphanyl] acetate?
The canonical SMILES for [ethyl(triphenyl)-lambda5-phosphanyl] acetate is CCP(OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [ethyl(triphenyl)-lambda5-phosphanyl] acetate?
The InChIKey is PPYQNGZABNGKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2P/c1-3-25(24-19(2)23,20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3.
What are the key properties of [ethyl(triphenyl)-lambda5-phosphanyl] acetate?
[ethyl(triphenyl)-lambda5-phosphanyl] acetate has a molecular weight of 350.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(triphenyl)-lambda5-phosphanyl] acetate is sourced from PubChem (CID 14767691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).