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

C23H23O3P — CID 18983511

IUPAC[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1
InChIInChI=1S/C23H23O3P/c1-16-10-12-20(13-11-16)26-27(25,21-8-6-5-7-9-21)23(24)22-18(3)14-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyDRICESUZTDEQAJ-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.74
Rot. Bonds5

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

[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 18983511) has the molecular formula C23H23O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID18983511
Molecular FormulaC23H23O3P
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1
InChIInChI=1S/C23H23O3P/c1-16-10-12-20(13-11-16)26-27(25,21-8-6-5-7-9-21)23(24)22-18(3)14-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyDRICESUZTDEQAJ-UHFFFAOYSA-N
XLogP5.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 18983511) is [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1.
What is the InChIKey of [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is DRICESUZTDEQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O3P/c1-16-10-12-20(13-11-16)26-27(25,21-8-6-5-7-9-21)23(24)22-18(3)14-17(2)15-19(22)4/h5-15H,1-4H3.
What are the key properties of [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 378.41 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 18983511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).