bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium

C36H34O13P+ — CID 175195263

IUPACbis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium
SMILESCOc1cc(C(=O)c2c(OC)cccc2OC)c(OC)c(C(=O)[P+](=O)C(=O)c2cc(OC)cc(C(=O)c3c(OC)cccc3OC)c2OC)c1
InChIInChI=1S/C36H34O13P/c1-42-19-15-21(31(37)29-25(44-3)11-9-12-26(29)45-4)33(48-7)23(17-19)35(39)50(41)36(40)24-18-20(43-2)16-22(34(24)49-8)32(38)30-27(46-5)13-10-14-28(30)47-6/h9-18H,1-8H3/q+1
InChIKeyVGJLWYAMDMCSGV-UHFFFAOYSA-N
MW705.63 g/mol
LogP6.03
Rot. Bonds16

About bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium

bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium (PubChem CID 175195263) has the molecular formula C36H34O13P+ and a molecular weight of 705.63 g/mol. Its IUPAC name is bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium.

Molecular Properties

Compound Namebis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium
PubChem CID175195263
Molecular FormulaC36H34O13P+
Molecular Weight705.63 g/mol
Exact Mass705.17
IUPAC Namebis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium
SMILESCOc1cc(C(=O)c2c(OC)cccc2OC)c(OC)c(C(=O)[P+](=O)C(=O)c2cc(OC)cc(C(=O)c3c(OC)cccc3OC)c2OC)c1
InChIInChI=1S/C36H34O13P/c1-42-19-15-21(31(37)29-25(44-3)11-9-12-26(29)45-4)33(48-7)23(17-19)35(39)50(41)36(40)24-18-20(43-2)16-22(34(24)49-8)32(38)30-27(46-5)13-10-14-28(30)47-6/h9-18H,1-8H3/q+1
InChIKeyVGJLWYAMDMCSGV-UHFFFAOYSA-N
XLogP6.03
TPSA159.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.63
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031

Frequently Asked Questions

What is the IUPAC name of bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium?
The IUPAC name of bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium (CID 175195263) is bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium.
What is the SMILES notation for bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium?
The canonical SMILES for bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium is COc1cc(C(=O)c2c(OC)cccc2OC)c(OC)c(C(=O)[P+](=O)C(=O)c2cc(OC)cc(C(=O)c3c(OC)cccc3OC)c2OC)c1.
What is the InChIKey of bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium?
The InChIKey is VGJLWYAMDMCSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O13P/c1-42-19-15-21(31(37)29-25(44-3)11-9-12-26(29)45-4)33(48-7)23(17-19)35(39)50(41)36(40)24-18-20(43-2)16-22(34(24)49-8)32(38)30-27(46-5)13-10-14-28(30)47-6/h9-18H,1-8H3/q+1.
What are the key properties of bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium?
bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium has a molecular weight of 705.63 g/mol, XLogP of 6.03, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium is sourced from PubChem (CID 175195263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).