diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane

C22H22O3P2 — CID 118610994

IUPACdiphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=P
InChIInChI=1S/C22H21O2P.HOP/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2/h4-15H,1-3H3;2H
InChIKeyALKDRCGHORMULG-UHFFFAOYSA-N
MW396.36 g/mol
LogP5.24
Rot. Bonds4

About diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane (PubChem CID 118610994) has the molecular formula C22H22O3P2 and a molecular weight of 396.36 g/mol. Its IUPAC name is diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane.

Molecular Properties

Compound Namediphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
PubChem CID118610994
Molecular FormulaC22H22O3P2
Molecular Weight396.36 g/mol
Exact Mass396.10
IUPAC Namediphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=P
InChIInChI=1S/C22H21O2P.HOP/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2/h4-15H,1-3H3;2H
InChIKeyALKDRCGHORMULG-UHFFFAOYSA-N
XLogP5.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157152357
CID 157152357
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
diphenylphosphoryl-[4-[[(4-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyldisulfanyl]methyl]-2,6-dimethylphenyl]methanone
CID 146633194
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
(2-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 118231450
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 146792739

Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane?
The IUPAC name of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane (CID 118610994) is diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane.
What is the SMILES notation for diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane?
The canonical SMILES for diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane is Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=P.
What is the InChIKey of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane?
The InChIKey is ALKDRCGHORMULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P.HOP/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2/h4-15H,1-3H3;2H.
What are the key properties of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane?
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane has a molecular weight of 396.36 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane is sourced from PubChem (CID 118610994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).