4-diphenylphosphorylpent-1-en-3-one

C17H17O2P — CID 162717312

IUPAC4-diphenylphosphorylpent-1-en-3-one
SMILESC=CC(=O)C(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17O2P/c1-3-17(18)14(2)20(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14H,1H2,2H3
InChIKeyJOQIBVXUBBUWDM-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.14
Rot. Bonds5

About 4-diphenylphosphorylpent-1-en-3-one

4-diphenylphosphorylpent-1-en-3-one (PubChem CID 162717312) has the molecular formula C17H17O2P and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-diphenylphosphorylpent-1-en-3-one.

Molecular Properties

Compound Name4-diphenylphosphorylpent-1-en-3-one
PubChem CID162717312
Molecular FormulaC17H17O2P
Molecular Weight284.30 g/mol
Exact Mass284.10
IUPAC Name4-diphenylphosphorylpent-1-en-3-one
SMILESC=CC(=O)C(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17O2P/c1-3-17(18)14(2)20(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14H,1H2,2H3
InChIKeyJOQIBVXUBBUWDM-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphorylpent-1-en-3-one?
The IUPAC name of 4-diphenylphosphorylpent-1-en-3-one (CID 162717312) is 4-diphenylphosphorylpent-1-en-3-one.
What is the SMILES notation for 4-diphenylphosphorylpent-1-en-3-one?
The canonical SMILES for 4-diphenylphosphorylpent-1-en-3-one is C=CC(=O)C(C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphorylpent-1-en-3-one?
The InChIKey is JOQIBVXUBBUWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O2P/c1-3-17(18)14(2)20(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14H,1H2,2H3.
What are the key properties of 4-diphenylphosphorylpent-1-en-3-one?
4-diphenylphosphorylpent-1-en-3-one has a molecular weight of 284.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphorylpent-1-en-3-one is sourced from PubChem (CID 162717312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).