dimethoxy(phenoxy)alumane

C8H11AlO3 — CID 70465239

IUPACdimethoxy(phenoxy)alumane
SMILESCO[Al](OC)Oc1ccccc1
InChIInChI=1S/C6H6O.2CH3O.Al/c7-6-4-2-1-3-5-6;2*1-2;/h1-5,7H;2*1H3;/q;2*-1;+3/p-1
InChIKeyCEHIODXEYYUOCB-UHFFFAOYSA-M
MW182.15 g/mol
LogP1.34
Rot. Bonds4

About dimethoxy(phenoxy)alumane

dimethoxy(phenoxy)alumane (PubChem CID 70465239) has the molecular formula C8H11AlO3 and a molecular weight of 182.15 g/mol. Its IUPAC name is dimethoxy(phenoxy)alumane.

Molecular Properties

Compound Namedimethoxy(phenoxy)alumane
PubChem CID70465239
Molecular FormulaC8H11AlO3
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Namedimethoxy(phenoxy)alumane
SMILESCO[Al](OC)Oc1ccccc1
InChIInChI=1S/C6H6O.2CH3O.Al/c7-6-4-2-1-3-5-6;2*1-2;/h1-5,7H;2*1H3;/q;2*-1;+3/p-1
InChIKeyCEHIODXEYYUOCB-UHFFFAOYSA-M
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

alumanyloxy-methyl-phenoxyalumane
CID 154104509
diphenoxy(propan-2-yl)alumane
CID 140617809
ditert-butyl(phenoxy)alumane
CID 16696692
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
acetylene;anisole
CID 86033716
[phenoxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate
CID 16689064
anisole;argon;propane
CID 165043377
anisole;trifluoroborane
CID 174665057
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050
anisole;diiodozinc
CID 174569089

Frequently Asked Questions

What is the IUPAC name of dimethoxy(phenoxy)alumane?
The IUPAC name of dimethoxy(phenoxy)alumane (CID 70465239) is dimethoxy(phenoxy)alumane.
What is the SMILES notation for dimethoxy(phenoxy)alumane?
The canonical SMILES for dimethoxy(phenoxy)alumane is CO[Al](OC)Oc1ccccc1.
What is the InChIKey of dimethoxy(phenoxy)alumane?
The InChIKey is CEHIODXEYYUOCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.2CH3O.Al/c7-6-4-2-1-3-5-6;2*1-2;/h1-5,7H;2*1H3;/q;2*-1;+3/p-1.
What are the key properties of dimethoxy(phenoxy)alumane?
dimethoxy(phenoxy)alumane has a molecular weight of 182.15 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(phenoxy)alumane is sourced from PubChem (CID 70465239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).