tris(2-methoxyphenyl)alumane

C21H21AlO3 — CID 86051473

IUPACtris(2-methoxyphenyl)alumane
SMILESCOc1ccccc1[Al](c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/3C7H7O.Al/c3*1-8-7-5-3-2-4-6-7;/h3*2-5H,1H3;
InChIKeySQJXFQPKPVKGFB-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.23
Rot. Bonds6

About tris(2-methoxyphenyl)alumane

tris(2-methoxyphenyl)alumane (PubChem CID 86051473) has the molecular formula C21H21AlO3 and a molecular weight of 348.38 g/mol. Its IUPAC name is tris(2-methoxyphenyl)alumane.

Molecular Properties

Compound Nametris(2-methoxyphenyl)alumane
PubChem CID86051473
Molecular FormulaC21H21AlO3
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Nametris(2-methoxyphenyl)alumane
SMILESCOc1ccccc1[Al](c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/3C7H7O.Al/c3*1-8-7-5-3-2-4-6-7;/h3*2-5H,1H3;
InChIKeySQJXFQPKPVKGFB-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tris(2-methoxyphenyl)alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
tris((2-methoxyphenyl)phosphane);palladium
CID 174983506
azane;2-methoxyphenol
CID 172717837
bismuth tris(2,6-dimethoxybenzenethiolate)
CID 15973660
1-chloro-2-methoxybenzene
CID 13011
2-iodo-7-methoxycyclohepta-2,4,6-trien-1-one
CID 102239319
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
bis(2-methoxyphenyl)diazene
CID 11947
methanethiol;2-methoxyphenol
CID 141484211
tetrakis(2-methoxyphenyl)plumbane
CID 4691505

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyphenyl)alumane?
The IUPAC name of tris(2-methoxyphenyl)alumane (CID 86051473) is tris(2-methoxyphenyl)alumane.
What is the SMILES notation for tris(2-methoxyphenyl)alumane?
The canonical SMILES for tris(2-methoxyphenyl)alumane is COc1ccccc1[Al](c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of tris(2-methoxyphenyl)alumane?
The InChIKey is SQJXFQPKPVKGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7O.Al/c3*1-8-7-5-3-2-4-6-7;/h3*2-5H,1H3;.
What are the key properties of tris(2-methoxyphenyl)alumane?
tris(2-methoxyphenyl)alumane has a molecular weight of 348.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyphenyl)alumane is sourced from PubChem (CID 86051473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).