[3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone

C24H21O3P — CID 140523804

IUPAC[3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(P=O)c(C(=O)c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C24H21O3P/c1-14-5-8-19(16(3)11-14)23(25)18-7-10-22(28-27)21(13-18)24(26)20-9-6-15(2)12-17(20)4/h5-13H,1-4H3
InChIKeyNOQVGTOTWNUYFY-UHFFFAOYSA-N
MW388.40 g/mol
LogP5.30
Rot. Bonds5

About [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone

[3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone (PubChem CID 140523804) has the molecular formula C24H21O3P and a molecular weight of 388.40 g/mol. Its IUPAC name is [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone
PubChem CID140523804
Molecular FormulaC24H21O3P
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name[3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(P=O)c(C(=O)c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C24H21O3P/c1-14-5-8-19(16(3)11-14)23(25)18-7-10-22(28-27)21(13-18)24(26)20-9-6-15(2)12-17(20)4/h5-13H,1-4H3
InChIKeyNOQVGTOTWNUYFY-UHFFFAOYSA-N
XLogP5.30
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone 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

(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(2,4-dimethylphenyl)-(4-methyl-3-nitrophenyl)methanone
CID 886134
(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
CID 86189379
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
(2,4-dimethylbenzoyl)-oxophosphanium
CID 151738944
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone (CID 140523804) is [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(P=O)c(C(=O)c3ccc(C)cc3C)c2)c(C)c1.
What is the InChIKey of [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone?
The InChIKey is NOQVGTOTWNUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O3P/c1-14-5-8-19(16(3)11-14)23(25)18-7-10-22(28-27)21(13-18)24(26)20-9-6-15(2)12-17(20)4/h5-13H,1-4H3.
What are the key properties of [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone?
[3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone has a molecular weight of 388.40 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethylbenzoyl)-4-phosphorosophenyl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 140523804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).