(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium

C25H24O5P+ — CID 173245685

IUPAC(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H24O5P/c1-15-13-16(2)22(17(3)14-15)24(26)18-9-6-7-12-21(18)31(28)25(27)23-19(29-4)10-8-11-20(23)30-5/h6-14H,1-5H3/q+1
InChIKeyXAODTKKYSPWQBK-UHFFFAOYSA-N
MW435.44 g/mol
LogP5.15
Rot. Bonds7

About (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium

(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium (PubChem CID 173245685) has the molecular formula C25H24O5P+ and a molecular weight of 435.44 g/mol. Its IUPAC name is (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium.

Molecular Properties

Compound Name(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
PubChem CID173245685
Molecular FormulaC25H24O5P+
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Name(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H24O5P/c1-15-13-16(2)22(17(3)14-15)24(26)18-9-6-7-12-21(18)31(28)25(27)23-19(29-4)10-8-11-20(23)30-5/h6-14H,1-5H3/q+1
InChIKeyXAODTKKYSPWQBK-UHFFFAOYSA-N
XLogP5.15
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 70022641
[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone
CID 158862858
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium
CID 173244659
oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173244333
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
CID 70014526
(2,6-dimethoxybenzoyl)-oxo-[4-oxo-2-phenyl-3-(2,4,6-trimethylbenzoyl)-4-(2,4,6-trimethylphenyl)butyl]phosphanium
CID 172770545

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The IUPAC name of (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium (CID 173245685) is (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium.
What is the SMILES notation for (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The canonical SMILES for (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium is COc1cccc(OC)c1C(=O)[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The InChIKey is XAODTKKYSPWQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5P/c1-15-13-16(2)22(17(3)14-15)24(26)18-9-6-7-12-21(18)31(28)25(27)23-19(29-4)10-8-11-20(23)30-5/h6-14H,1-5H3/q+1.
What are the key properties of (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium has a molecular weight of 435.44 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium is sourced from PubChem (CID 173245685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).