(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium

C25H22Cl2O3P+ — CID 173245773

IUPAC(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
SMILESCc1c(C)c(C)c(C(=O)c2ccccc2[P+](=O)C(=O)c2c(Cl)cccc2Cl)c(C)c1C
InChIInChI=1S/C25H22Cl2O3P/c1-13-14(2)16(4)22(17(5)15(13)3)24(28)18-9-6-7-12-21(18)31(30)25(29)23-19(26)10-8-11-20(23)27/h6-12H,1-5H3/q+1
InChIKeyMFDFSUXLHUTQFB-UHFFFAOYSA-N
MW472.33 g/mol
LogP7.06
Rot. Bonds5

About (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium

(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium (PubChem CID 173245773) has the molecular formula C25H22Cl2O3P+ and a molecular weight of 472.33 g/mol. Its IUPAC name is (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium.

Molecular Properties

Compound Name(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
PubChem CID173245773
Molecular FormulaC25H22Cl2O3P+
Molecular Weight472.33 g/mol
Exact Mass471.07
IUPAC Name(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
SMILESCc1c(C)c(C)c(C(=O)c2ccccc2[P+](=O)C(=O)c2c(Cl)cccc2Cl)c(C)c1C
InChIInChI=1S/C25H22Cl2O3P/c1-13-14(2)16(4)22(17(5)15(13)3)24(28)18-9-6-7-12-21(18)31(30)25(29)23-19(26)10-8-11-20(23)27/h6-12H,1-5H3/q+1
InChIKeyMFDFSUXLHUTQFB-UHFFFAOYSA-N
XLogP7.06
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.33
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium 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

(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium
CID 173245703
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium
CID 173244659
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
CID 70014526
(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
CID 70017070
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
3-(2-chlorobenzoyl)-2-methylazulene-1-carboxylic acid
CID 139771641
3-chlorophthalic acid;phthalic acid
CID 174649164

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
The IUPAC name of (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium (CID 173245773) is (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium.
What is the SMILES notation for (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
The canonical SMILES for (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium is Cc1c(C)c(C)c(C(=O)c2ccccc2[P+](=O)C(=O)c2c(Cl)cccc2Cl)c(C)c1C.
What is the InChIKey of (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
The InChIKey is MFDFSUXLHUTQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2O3P/c1-13-14(2)16(4)22(17(5)15(13)3)24(28)18-9-6-7-12-21(18)31(30)25(29)23-19(26)10-8-11-20(23)27/h6-12H,1-5H3/q+1.
What are the key properties of (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium has a molecular weight of 472.33 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium is sourced from PubChem (CID 173245773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).