[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

C24H25O3P — CID 18983505

IUPAC[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H25O3P/c1-16-11-12-22(18(3)13-16)27-28(26,21-9-7-6-8-10-21)24(25)23-19(4)14-17(2)15-20(23)5/h6-15H,1-5H3
InChIKeySDZGVKPDBSXVSN-UHFFFAOYSA-N
MW392.44 g/mol
LogP6.05
Rot. Bonds5

About [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 18983505) has the molecular formula C24H25O3P and a molecular weight of 392.44 g/mol. Its IUPAC name is [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID18983505
Molecular FormulaC24H25O3P
Molecular Weight392.44 g/mol
Exact Mass392.15
IUPAC Name[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H25O3P/c1-16-11-12-22(18(3)13-16)27-28(26,21-9-7-6-8-10-21)24(25)23-19(4)14-17(2)15-20(23)5/h6-15H,1-5H3
InChIKeySDZGVKPDBSXVSN-UHFFFAOYSA-N
XLogP6.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511
[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
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
[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 59630158
biphenylene;bis(bis(2,4-dimethylphenyl) hydrogen phosphate)
CID 23499722
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
[(3-deuterio-2,4,6-trimethylbenzoyl)-phenylphosphoryl]-(3-deuterio-2,4,6-trimethylphenyl)methanone
CID 175769024

Frequently Asked Questions

What is the IUPAC name of [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 18983505) is [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.
What is the InChIKey of [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is SDZGVKPDBSXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O3P/c1-16-11-12-22(18(3)13-16)27-28(26,21-9-7-6-8-10-21)24(25)23-19(4)14-17(2)15-20(23)5/h6-15H,1-5H3.
What are the key properties of [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 392.44 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 18983505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).