oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium

C26H26O9P+ — CID 173245628

IUPACoxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
SMILESCOc1cc(OC)c(C(=O)[P+](=O)c2ccccc2C(=O)c2c(OC)ccc(OC)c2OC)c(OC)c1
InChIInChI=1S/C26H26O9P/c1-30-15-13-19(33-4)22(20(14-15)34-5)26(28)36(29)21-10-8-7-9-16(21)24(27)23-17(31-2)11-12-18(32-3)25(23)35-6/h7-14H,1-6H3/q+1
InChIKeyVZNPHBHREJBZEC-UHFFFAOYSA-N
MW513.46 g/mol
LogP4.26
Rot. Bonds11

About oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium

oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium (PubChem CID 173245628) has the molecular formula C26H26O9P+ and a molecular weight of 513.46 g/mol. Its IUPAC name is oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium.

Molecular Properties

Compound Nameoxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
PubChem CID173245628
Molecular FormulaC26H26O9P+
Molecular Weight513.46 g/mol
Exact Mass513.13
IUPAC Nameoxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
SMILESCOc1cc(OC)c(C(=O)[P+](=O)c2ccccc2C(=O)c2c(OC)ccc(OC)c2OC)c(OC)c1
InChIInChI=1S/C26H26O9P/c1-30-15-13-19(33-4)22(20(14-15)34-5)26(28)36(29)21-10-8-7-9-16(21)24(27)23-17(31-2)11-12-18(32-3)25(23)35-6/h7-14H,1-6H3/q+1
InChIKeyVZNPHBHREJBZEC-UHFFFAOYSA-N
XLogP4.26
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979
(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
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium
CID 175195263
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
CID 70014526
(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
CID 139085652
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894

Frequently Asked Questions

What is the IUPAC name of oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium?
The IUPAC name of oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium (CID 173245628) is oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium.
What is the SMILES notation for oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium?
The canonical SMILES for oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium is COc1cc(OC)c(C(=O)[P+](=O)c2ccccc2C(=O)c2c(OC)ccc(OC)c2OC)c(OC)c1.
What is the InChIKey of oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium?
The InChIKey is VZNPHBHREJBZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O9P/c1-30-15-13-19(33-4)22(20(14-15)34-5)26(28)36(29)21-10-8-7-9-16(21)24(27)23-17(31-2)11-12-18(32-3)25(23)35-6/h7-14H,1-6H3/q+1.
What are the key properties of oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium?
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium has a molecular weight of 513.46 g/mol, XLogP of 4.26, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium is sourced from PubChem (CID 173245628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).