1-phenylphosphanylethanone

C8H9OP — CID 91587188

IUPAC1-phenylphosphanylethanone
SMILESCC(=O)Pc1ccccc1
InChIInChI=1S/C8H9OP/c1-7(9)10-8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyWDMUFZQVUAILNG-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.54
Rot. Bonds2

About 1-phenylphosphanylethanone

1-phenylphosphanylethanone (PubChem CID 91587188) has the molecular formula C8H9OP and a molecular weight of 152.13 g/mol. Its IUPAC name is 1-phenylphosphanylethanone.

Molecular Properties

Compound Name1-phenylphosphanylethanone
PubChem CID91587188
Molecular FormulaC8H9OP
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name1-phenylphosphanylethanone
SMILESCC(=O)Pc1ccccc1
InChIInChI=1S/C8H9OP/c1-7(9)10-8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyWDMUFZQVUAILNG-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phenylphosphanylethanone 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 1-phenylphosphanylethanone?
The IUPAC name of 1-phenylphosphanylethanone (CID 91587188) is 1-phenylphosphanylethanone.
What is the SMILES notation for 1-phenylphosphanylethanone?
The canonical SMILES for 1-phenylphosphanylethanone is CC(=O)Pc1ccccc1.
What is the InChIKey of 1-phenylphosphanylethanone?
The InChIKey is WDMUFZQVUAILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9OP/c1-7(9)10-8-5-3-2-4-6-8/h2-6,10H,1H3.
What are the key properties of 1-phenylphosphanylethanone?
1-phenylphosphanylethanone has a molecular weight of 152.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylphosphanylethanone is sourced from PubChem (CID 91587188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).