1-(triphenyl-lambda5-phosphanylidene)propan-2-one

C21H19OP — CID 15038

IUPAC1-(triphenyl-lambda5-phosphanylidene)propan-2-one
SMILESCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyKAANTNXREIRLCT-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.37
Rot. Bonds4

About 1-(triphenyl-lambda5-phosphanylidene)propan-2-one

1-(triphenyl-lambda5-phosphanylidene)propan-2-one (PubChem CID 15038) has the molecular formula C21H19OP and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-(triphenyl-lambda5-phosphanylidene)propan-2-one.

Molecular Properties

Compound Name1-(triphenyl-lambda5-phosphanylidene)propan-2-one
PubChem CID15038
Molecular FormulaC21H19OP
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name1-(triphenyl-lambda5-phosphanylidene)propan-2-one
SMILESCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyKAANTNXREIRLCT-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(triphenyl-lambda5-phosphanylidene)propan-2-one?
The IUPAC name of 1-(triphenyl-lambda5-phosphanylidene)propan-2-one (CID 15038) is 1-(triphenyl-lambda5-phosphanylidene)propan-2-one.
What is the SMILES notation for 1-(triphenyl-lambda5-phosphanylidene)propan-2-one?
The canonical SMILES for 1-(triphenyl-lambda5-phosphanylidene)propan-2-one is CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(triphenyl-lambda5-phosphanylidene)propan-2-one?
The InChIKey is KAANTNXREIRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3.
What are the key properties of 1-(triphenyl-lambda5-phosphanylidene)propan-2-one?
1-(triphenyl-lambda5-phosphanylidene)propan-2-one has a molecular weight of 318.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triphenyl-lambda5-phosphanylidene)propan-2-one is sourced from PubChem (CID 15038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).