2-tert-butyl-4-methoxyphenolate;diethylalumanylium

C15H25AlO2 — CID 157212968

IUPAC2-tert-butyl-4-methoxyphenolate;diethylalumanylium
SMILESCC[Al+]CC.COc1ccc([O-])c(C(C)(C)C)c1
InChIInChI=1S/C11H16O2.2C2H5.Al/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;2*1-2;/h5-7,12H,1-4H3;2*1H2,2H3;/q;;;+1/p-1
InChIKeyXLQXHNGOIYYTPH-UHFFFAOYSA-M
MW264.34 g/mol
LogP3.63
Rot. Bonds3

About 2-tert-butyl-4-methoxyphenolate;diethylalumanylium

2-tert-butyl-4-methoxyphenolate;diethylalumanylium (PubChem CID 157212968) has the molecular formula C15H25AlO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxyphenolate;diethylalumanylium.

Molecular Properties

Compound Name2-tert-butyl-4-methoxyphenolate;diethylalumanylium
PubChem CID157212968
Molecular FormulaC15H25AlO2
Molecular Weight264.34 g/mol
Exact Mass264.17
IUPAC Name2-tert-butyl-4-methoxyphenolate;diethylalumanylium
SMILESCC[Al+]CC.COc1ccc([O-])c(C(C)(C)C)c1
InChIInChI=1S/C11H16O2.2C2H5.Al/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;2*1-2;/h5-7,12H,1-4H3;2*1H2,2H3;/q;;;+1/p-1
InChIKeyXLQXHNGOIYYTPH-UHFFFAOYSA-M
XLogP3.63
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-methoxyphenolate
CID 19016621
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
dipotassium;2-tert-butylbenzene-1,4-diolate
CID 139035525
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915
[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 16786203
2-tert-butyl-1-isocyano-4-methoxybenzene
CID 168769400
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
1-tert-butyl-7-methoxynaphthalene
CID 608110
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-ethyl-4-methoxyphenolate
CID 101457575

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxyphenolate;diethylalumanylium?
The IUPAC name of 2-tert-butyl-4-methoxyphenolate;diethylalumanylium (CID 157212968) is 2-tert-butyl-4-methoxyphenolate;diethylalumanylium.
What is the SMILES notation for 2-tert-butyl-4-methoxyphenolate;diethylalumanylium?
The canonical SMILES for 2-tert-butyl-4-methoxyphenolate;diethylalumanylium is CC[Al+]CC.COc1ccc([O-])c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methoxyphenolate;diethylalumanylium?
The InChIKey is XLQXHNGOIYYTPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16O2.2C2H5.Al/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;2*1-2;/h5-7,12H,1-4H3;2*1H2,2H3;/q;;;+1/p-1.
What are the key properties of 2-tert-butyl-4-methoxyphenolate;diethylalumanylium?
2-tert-butyl-4-methoxyphenolate;diethylalumanylium has a molecular weight of 264.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxyphenolate;diethylalumanylium is sourced from PubChem (CID 157212968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).