[6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium

C23H30O4P+ — CID 170170683

IUPAC[6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium
SMILESCOc1cccc(OC)c1C(=O)CC(C)(C)CC(C)C[P+](=O)c1ccccc1
InChIInChI=1S/C23H30O4P/c1-17(16-28(25)18-10-7-6-8-11-18)14-23(2,3)15-19(24)22-20(26-4)12-9-13-21(22)27-5/h6-13,17H,14-16H2,1-5H3/q+1
InChIKeyPEQWVMQPIDNVMK-UHFFFAOYSA-N
MW401.46 g/mol
LogP5.48
Rot. Bonds10

About [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium

[6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium (PubChem CID 170170683) has the molecular formula C23H30O4P+ and a molecular weight of 401.46 g/mol. Its IUPAC name is [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium
PubChem CID170170683
Molecular FormulaC23H30O4P+
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name[6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium
SMILESCOc1cccc(OC)c1C(=O)CC(C)(C)CC(C)C[P+](=O)c1ccccc1
InChIInChI=1S/C23H30O4P/c1-17(16-28(25)18-10-7-6-8-11-18)14-23(2,3)15-19(24)22-20(26-4)12-9-13-21(22)27-5/h6-13,17H,14-16H2,1-5H3/q+1
InChIKeyPEQWVMQPIDNVMK-UHFFFAOYSA-N
XLogP5.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,7-bis(2,6-dimethoxyphenyl)-3,5,5-trimethyl-2-phosphanylheptane-1,7-dione
CID 174920607
1-(2,6-dimethoxyphenyl)-3,3,5-trimethyl-6-phosphorosohex-5-en-1-one
CID 175264665
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
CID 141294397
oxophosphanium;2,4,4-trimethylpentyl 3-(2,6-dimethoxyphenyl)-3-oxo-2-phenylpropanoate
CID 158116368
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
2,4,4-trimethylpentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18514795
[2,3-bis[(2,6-dimethoxyphenyl)methyl]phenyl]-oxo-(2,4,4-trimethylpentyl)phosphanium
CID 159660943
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
(2,6-diethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium
CID 66893194
2-(2-methoxyphenyl)ethyl-oxo-phenylphosphanium
CID 69220036
1-(2,6-dimethoxyphenyl)-3-phenylbutane-1,2-dione
CID 175446131
1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
CID 105134620

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium?
The IUPAC name of [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium (CID 170170683) is [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium.
What is the SMILES notation for [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium?
The canonical SMILES for [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium is COc1cccc(OC)c1C(=O)CC(C)(C)CC(C)C[P+](=O)c1ccccc1.
What is the InChIKey of [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium?
The InChIKey is PEQWVMQPIDNVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4P/c1-17(16-28(25)18-10-7-6-8-11-18)14-23(2,3)15-19(24)22-20(26-4)12-9-13-21(22)27-5/h6-13,17H,14-16H2,1-5H3/q+1.
What are the key properties of [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium?
[6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium has a molecular weight of 401.46 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium is sourced from PubChem (CID 170170683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).