4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one

C19H23O2P — CID 91699389

IUPAC4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)P(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O2P/c1-16(20)14-19(2,3)22(21,18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h4-13H,14-15H2,1-3H3
InChIKeyLMOUGXOEESULEG-UHFFFAOYSA-N
MW314.37 g/mol
LogP4.63
Rot. Bonds6

About 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one

4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one (PubChem CID 91699389) has the molecular formula C19H23O2P and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one.

Molecular Properties

Compound Name4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one
PubChem CID91699389
Molecular FormulaC19H23O2P
Molecular Weight314.37 g/mol
Exact Mass314.14
IUPAC Name4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)P(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O2P/c1-16(20)14-19(2,3)22(21,18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h4-13H,14-15H2,1-3H3
InChIKeyLMOUGXOEESULEG-UHFFFAOYSA-N
XLogP4.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one 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 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one?
The IUPAC name of 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one (CID 91699389) is 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one.
What is the SMILES notation for 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one?
The canonical SMILES for 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one is CC(=O)CC(C)(C)P(=O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one?
The InChIKey is LMOUGXOEESULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O2P/c1-16(20)14-19(2,3)22(21,18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one?
4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one has a molecular weight of 314.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(phenyl)phosphoryl]-4-methylpentan-2-one is sourced from PubChem (CID 91699389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).