(3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium

C24H24O4P+ — CID 166723640

IUPAC(3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium
SMILESCO[P+](O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C24H24O4P/c1-16-15-17(2)22(18(3)21(16)23(25)19-11-7-5-8-12-19)24(26)29(27,28-4)20-13-9-6-10-14-20/h5-15,27H,1-4H3/q+1
InChIKeyWMSUZDHMBWHIFU-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.79
Rot. Bonds6

About (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium

(3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium (PubChem CID 166723640) has the molecular formula C24H24O4P+ and a molecular weight of 407.43 g/mol. Its IUPAC name is (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium.

Molecular Properties

Compound Name(3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium
PubChem CID166723640
Molecular FormulaC24H24O4P+
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name(3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium
SMILESCO[P+](O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C24H24O4P/c1-16-15-17(2)22(18(3)21(16)23(25)19-11-7-5-8-12-19)24(26)29(27,28-4)20-13-9-6-10-14-20/h5-15,27H,1-4H3/q+1
InChIKeyWMSUZDHMBWHIFU-UHFFFAOYSA-N
XLogP4.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 118237088
(3,4-dimethylfuran-2-yl)-phenylmethanone
CID 67906016
butane-2,3-diol;diphenylmethanone
CID 175235923
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium?
The IUPAC name of (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium (CID 166723640) is (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium.
What is the SMILES notation for (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium?
The canonical SMILES for (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium is CO[P+](O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1.
What is the InChIKey of (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium?
The InChIKey is WMSUZDHMBWHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4P/c1-16-15-17(2)22(18(3)21(16)23(25)19-11-7-5-8-12-19)24(26)29(27,28-4)20-13-9-6-10-14-20/h5-15,27H,1-4H3/q+1.
What are the key properties of (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium?
(3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium has a molecular weight of 407.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2,4,6-trimethylbenzoyl)-hydroxy-methoxy-phenylphosphanium is sourced from PubChem (CID 166723640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).