[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C24H31O4P — CID 125497314

About [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 125497314) has the molecular formula C24H31O4P and a molecular weight of 414.48 g/mol. Its IUPAC name is [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

• Compound Name: [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
• PubChem CID: 125497314
• Molecular Formula: C24H31O4P
• Molecular Weight: 414.48 g/mol
• Exact Mass: 414.20
• IUPAC Name: [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
• SMILES: Cc1cc(C)c(C(=O)P(=O)(OC(C)(C)C)C(=O)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C24H31O4P/c1-14-10-16(3)20(17(4)11-14)22(25)29(27,28-24(7,8)9)23(26)21-18(5)12-15(2)13-19(21)6/h10-13H,1-9H3
• InChIKey: HULZDEVAVQQKOM-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 60.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.48
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The IUPAC name of [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 125497314) is [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

What is the SMILES notation for [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The canonical SMILES for [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(OC(C)(C)C)C(=O)c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The InChIKey is HULZDEVAVQQKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31O4P/c1-14-10-16(3)20(17(4)11-14)22(25)29(27,28-24(7,8)9)23(26)21-18(5)12-15(2)13-19(21)6/h10-13H,1-9H3.

What are the key properties of [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 414.48 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 125497314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).