[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C25H25O2P — CID 91322259

IUPAC[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCC(=CP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25O2P/c1-18-15-19(2)24(20(3)16-18)25(26)28(27,23-13-9-6-10-14-23)17-21(4)22-11-7-5-8-12-22/h5-17H,1-4H3
InChIKeyQNICOWPBSNZYTP-UHFFFAOYSA-N
MW388.45 g/mol
LogP6.50
Rot. Bonds5

About [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 91322259) has the molecular formula C25H25O2P and a molecular weight of 388.45 g/mol. Its IUPAC name is [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID91322259
Molecular FormulaC25H25O2P
Molecular Weight388.45 g/mol
Exact Mass388.16
IUPAC Name[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCC(=CP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25O2P/c1-18-15-19(2)24(20(3)16-18)25(26)28(27,23-13-9-6-10-14-23)17-21(4)22-11-7-5-8-12-22/h5-17H,1-4H3
InChIKeyQNICOWPBSNZYTP-UHFFFAOYSA-N
XLogP6.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
CID 157152357
CID 157152357
[(3-deuterio-2,4,6-trimethylbenzoyl)-phenylphosphoryl]-(3-deuterio-2,4,6-trimethylphenyl)methanone
CID 175769024
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene
CID 165353405
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905

Frequently Asked Questions

What is the IUPAC name of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 91322259) is [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is CC(=CP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is QNICOWPBSNZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25O2P/c1-18-15-19(2)24(20(3)16-18)25(26)28(27,23-13-9-6-10-14-23)17-21(4)22-11-7-5-8-12-22/h5-17H,1-4H3.
What are the key properties of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 388.45 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 91322259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).