[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone

C24H23O3P — CID 18400333

IUPAC[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C24H23O3P/c1-16-10-8-11-17(2)21(16)23(25)28(27,20-14-6-5-7-15-20)24(26)22-18(3)12-9-13-19(22)4/h5-15H,1-4H3
InChIKeyILPDGPRRWKVEPG-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.59
Rot. Bonds5

About [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone

[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone (PubChem CID 18400333) has the molecular formula C24H23O3P and a molecular weight of 390.42 g/mol. Its IUPAC name is [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
PubChem CID18400333
Molecular FormulaC24H23O3P
Molecular Weight390.42 g/mol
Exact Mass390.14
IUPAC Name[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C24H23O3P/c1-16-10-8-11-17(2)21(16)23(25)28(27,20-14-6-5-7-15-20)24(26)22-18(3)12-9-13-19(22)4/h5-15H,1-4H3
InChIKeyILPDGPRRWKVEPG-UHFFFAOYSA-N
XLogP5.59
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.59
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 [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
The IUPAC name of [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone (CID 18400333) is [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
The canonical SMILES for [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C)cccc1C)c1ccccc1.
What is the InChIKey of [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
The InChIKey is ILPDGPRRWKVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O3P/c1-16-10-8-11-17(2)21(16)23(25)28(27,20-14-6-5-7-15-20)24(26)22-18(3)12-9-13-19(22)4/h5-15H,1-4H3.
What are the key properties of [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone has a molecular weight of 390.42 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 18400333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).