aluminum tris(4-methylphenolate)

C21H21AlO3 — CID 19704458

IUPACaluminum tris(4-methylphenolate)
SMILESCc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.[Al+3]
InChIInChI=1S/3C7H8O.Al/c3*1-6-2-4-7(8)5-3-6;/h3*2-5,8H,1H3;/q;;;+3/p-3
InChIKeyKILCCVQLHISVRW-UHFFFAOYSA-K
MW348.38 g/mol
LogP2.83
Rot. Bonds

About aluminum tris(4-methylphenolate)

aluminum tris(4-methylphenolate) (PubChem CID 19704458) has the molecular formula C21H21AlO3 and a molecular weight of 348.38 g/mol. Its IUPAC name is aluminum tris(4-methylphenolate).

Molecular Properties

Compound Namealuminum tris(4-methylphenolate)
PubChem CID19704458
Molecular FormulaC21H21AlO3
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Namealuminum tris(4-methylphenolate)
SMILESCc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.[Al+3]
InChIInChI=1S/3C7H8O.Al/c3*1-6-2-4-7(8)5-3-6;/h3*2-5,8H,1H3;/q;;;+3/p-3
InChIKeyKILCCVQLHISVRW-UHFFFAOYSA-K
XLogP2.83
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(4-methylphenolate)?
The IUPAC name of aluminum tris(4-methylphenolate) (CID 19704458) is aluminum tris(4-methylphenolate).
What is the SMILES notation for aluminum tris(4-methylphenolate)?
The canonical SMILES for aluminum tris(4-methylphenolate) is Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.[Al+3].
What is the InChIKey of aluminum tris(4-methylphenolate)?
The InChIKey is KILCCVQLHISVRW-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H8O.Al/c3*1-6-2-4-7(8)5-3-6;/h3*2-5,8H,1H3;/q;;;+3/p-3.
What are the key properties of aluminum tris(4-methylphenolate)?
aluminum tris(4-methylphenolate) has a molecular weight of 348.38 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(4-methylphenolate) is sourced from PubChem (CID 19704458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).