(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium

C13H18O4P+ — CID 141294397

IUPAC(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)CC(C)C
InChIInChI=1S/C13H18O4P/c1-9(2)8-18(15)13(14)12-10(16-3)6-5-7-11(12)17-4/h5-7,9H,8H2,1-4H3/q+1
InChIKeySBSTYIVZIGJFCJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.33
Rot. Bonds6

About (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium

(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium (PubChem CID 141294397) has the molecular formula C13H18O4P+ and a molecular weight of 269.26 g/mol. Its IUPAC name is (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium.

Molecular Properties

Compound Name(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
PubChem CID141294397
Molecular FormulaC13H18O4P+
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)CC(C)C
InChIInChI=1S/C13H18O4P/c1-9(2)8-18(15)13(14)12-10(16-3)6-5-7-11(12)17-4/h5-7,9H,8H2,1-4H3/q+1
InChIKeySBSTYIVZIGJFCJ-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.33
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

(2,6-dimethoxybenzoyl)-oxo-[4-oxo-2-phenyl-3-(2,4,6-trimethylbenzoyl)-4-(2,4,6-trimethylphenyl)butyl]phosphanium
CID 172770545
(2,6-diethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium
CID 66893194
butyl-(2,6-dimethoxybenzoyl)-oxophosphanium;1,2-diphenylethane-1,2-dione
CID 175473426
(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium
CID 66688109
(2S,3S)-1-(2,6-dimethoxyphenyl)-3-hydroxy-2-methylbutan-1-one
CID 102019504
lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
CID 174399349
[6-(2,6-dimethoxyphenyl)-2,4,4-trimethyl-6-oxohexyl]-oxo-phenylphosphanium
CID 170170683
2,6-dimethoxybenzohydrazide
CID 2806104
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
CID 105134620
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium?
The IUPAC name of (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium (CID 141294397) is (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium.
What is the SMILES notation for (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium?
The canonical SMILES for (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium is COc1cccc(OC)c1C(=O)[P+](=O)CC(C)C.
What is the InChIKey of (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium?
The InChIKey is SBSTYIVZIGJFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4P/c1-9(2)8-18(15)13(14)12-10(16-3)6-5-7-11(12)17-4/h5-7,9H,8H2,1-4H3/q+1.
What are the key properties of (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium?
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium has a molecular weight of 269.26 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium is sourced from PubChem (CID 141294397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).