3-diphenylphosphorylpropan-1-ol

C15H17O2P — CID 2063417

IUPAC3-diphenylphosphorylpropan-1-ol
SMILESO=P(CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O2P/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyKAKTVAXATYYOEP-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.38
Rot. Bonds5

About 3-diphenylphosphorylpropan-1-ol

3-diphenylphosphorylpropan-1-ol (PubChem CID 2063417) has the molecular formula C15H17O2P and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-diphenylphosphorylpropan-1-ol.

Molecular Properties

Compound Name3-diphenylphosphorylpropan-1-ol
PubChem CID2063417
Molecular FormulaC15H17O2P
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-diphenylphosphorylpropan-1-ol
SMILESO=P(CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O2P/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyKAKTVAXATYYOEP-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
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 3-diphenylphosphorylpropan-1-ol?
The IUPAC name of 3-diphenylphosphorylpropan-1-ol (CID 2063417) is 3-diphenylphosphorylpropan-1-ol.
What is the SMILES notation for 3-diphenylphosphorylpropan-1-ol?
The canonical SMILES for 3-diphenylphosphorylpropan-1-ol is O=P(CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphorylpropan-1-ol?
The InChIKey is KAKTVAXATYYOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2P/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2.
What are the key properties of 3-diphenylphosphorylpropan-1-ol?
3-diphenylphosphorylpropan-1-ol has a molecular weight of 260.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylpropan-1-ol is sourced from PubChem (CID 2063417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).