[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium

C25H24O3P+ — CID 174384218

IUPAC[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium
SMILESCc1cccc(C)c1C(=O)c1cc(C)c(C(=O)[P+](=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C25H24O3P/c1-15-10-9-11-16(2)22(15)24(26)21-14-17(3)23(19(5)18(21)4)25(27)29(28)20-12-7-6-8-13-20/h6-14H,1-5H3/q+1
InChIKeyBDWVIWZFZJOMRV-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.75
Rot. Bonds5

About [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium

[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium (PubChem CID 174384218) has the molecular formula C25H24O3P+ and a molecular weight of 403.44 g/mol. Its IUPAC name is [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium
PubChem CID174384218
Molecular FormulaC25H24O3P+
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium
SMILESCc1cccc(C)c1C(=O)c1cc(C)c(C(=O)[P+](=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C25H24O3P/c1-15-10-9-11-16(2)22(15)24(26)21-14-17(3)23(19(5)18(21)4)25(27)29(28)20-12-7-6-8-13-20/h6-14H,1-5H3/q+1
InChIKeyBDWVIWZFZJOMRV-UHFFFAOYSA-N
XLogP5.75
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
CID 67176585
oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
CID 141016786
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
CID 70017070
(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone
CID 114249214
[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
(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 18432056

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium?
The IUPAC name of [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium (CID 174384218) is [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium.
What is the SMILES notation for [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium?
The canonical SMILES for [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium is Cc1cccc(C)c1C(=O)c1cc(C)c(C(=O)[P+](=O)c2ccccc2)c(C)c1C.
What is the InChIKey of [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium?
The InChIKey is BDWVIWZFZJOMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3P/c1-15-10-9-11-16(2)22(15)24(26)21-14-17(3)23(19(5)18(21)4)25(27)29(28)20-12-7-6-8-13-20/h6-14H,1-5H3/q+1.
What are the key properties of [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium?
[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium has a molecular weight of 403.44 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium is sourced from PubChem (CID 174384218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).