3-dibenzylphosphorylpropan-1-ol

C17H21O2P — CID 2303987

IUPAC3-dibenzylphosphorylpropan-1-ol
SMILESO=P(CCCO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21O2P/c18-12-7-13-20(19,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyLEAKRWDTUXYLME-UHFFFAOYSA-N
MW288.33 g/mol
LogP4.13
Rot. Bonds7

About 3-dibenzylphosphorylpropan-1-ol

3-dibenzylphosphorylpropan-1-ol (PubChem CID 2303987) has the molecular formula C17H21O2P and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-dibenzylphosphorylpropan-1-ol.

Molecular Properties

Compound Name3-dibenzylphosphorylpropan-1-ol
PubChem CID2303987
Molecular FormulaC17H21O2P
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Name3-dibenzylphosphorylpropan-1-ol
SMILESO=P(CCCO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21O2P/c18-12-7-13-20(19,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyLEAKRWDTUXYLME-UHFFFAOYSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 54.13
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-dibenzylphosphorylpropan-1-ol?
The IUPAC name of 3-dibenzylphosphorylpropan-1-ol (CID 2303987) is 3-dibenzylphosphorylpropan-1-ol.
What is the SMILES notation for 3-dibenzylphosphorylpropan-1-ol?
The canonical SMILES for 3-dibenzylphosphorylpropan-1-ol is O=P(CCCO)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-dibenzylphosphorylpropan-1-ol?
The InChIKey is LEAKRWDTUXYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O2P/c18-12-7-13-20(19,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2.
What are the key properties of 3-dibenzylphosphorylpropan-1-ol?
3-dibenzylphosphorylpropan-1-ol has a molecular weight of 288.33 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzylphosphorylpropan-1-ol is sourced from PubChem (CID 2303987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).