3-diphenylphosphoryl-1-phenylbutan-1-ol

C22H23O2P — CID 13202515

IUPAC3-diphenylphosphoryl-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2P/c1-18(17-22(23)19-11-5-2-6-12-19)25(24,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22-23H,17H2,1H3
InChIKeyCKIVMLGWFDERPV-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.51
Rot. Bonds6

About 3-diphenylphosphoryl-1-phenylbutan-1-ol

3-diphenylphosphoryl-1-phenylbutan-1-ol (PubChem CID 13202515) has the molecular formula C22H23O2P and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3-diphenylphosphoryl-1-phenylbutan-1-ol
PubChem CID13202515
Molecular FormulaC22H23O2P
Molecular Weight350.40 g/mol
Exact Mass350.14
IUPAC Name3-diphenylphosphoryl-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2P/c1-18(17-22(23)19-11-5-2-6-12-19)25(24,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22-23H,17H2,1H3
InChIKeyCKIVMLGWFDERPV-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-diphenylphosphoryl-1-phenylbutan-1-ol 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 3-diphenylphosphoryl-1-phenylbutan-1-ol?
The IUPAC name of 3-diphenylphosphoryl-1-phenylbutan-1-ol (CID 13202515) is 3-diphenylphosphoryl-1-phenylbutan-1-ol.
What is the SMILES notation for 3-diphenylphosphoryl-1-phenylbutan-1-ol?
The canonical SMILES for 3-diphenylphosphoryl-1-phenylbutan-1-ol is CC(CC(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphoryl-1-phenylbutan-1-ol?
The InChIKey is CKIVMLGWFDERPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2P/c1-18(17-22(23)19-11-5-2-6-12-19)25(24,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22-23H,17H2,1H3.
What are the key properties of 3-diphenylphosphoryl-1-phenylbutan-1-ol?
3-diphenylphosphoryl-1-phenylbutan-1-ol has a molecular weight of 350.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1-phenylbutan-1-ol is sourced from PubChem (CID 13202515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).