(4-methylphenyl)-propylalumanylium

C10H14Al+ — CID 21465821

IUPAC(4-methylphenyl)-propylalumanylium
SMILESCCC[Al+]c1ccc(C)cc1
InChIInChI=1S/C7H7.C3H7.Al/c1-7-5-3-2-4-6-7;1-3-2;/h3-6H,1H3;1,3H2,2H3;/q;;+1
InChIKeyZXJLVBNPVOOHKQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.15
Rot. Bonds3

About (4-methylphenyl)-propylalumanylium

(4-methylphenyl)-propylalumanylium (PubChem CID 21465821) has the molecular formula C10H14Al+ and a molecular weight of 161.20 g/mol. Its IUPAC name is (4-methylphenyl)-propylalumanylium.

Molecular Properties

Compound Name(4-methylphenyl)-propylalumanylium
PubChem CID21465821
Molecular FormulaC10H14Al+
Molecular Weight161.20 g/mol
Exact Mass161.09
IUPAC Name(4-methylphenyl)-propylalumanylium
SMILESCCC[Al+]c1ccc(C)cc1
InChIInChI=1S/C7H7.C3H7.Al/c1-7-5-3-2-4-6-7;1-3-2;/h3-6H,1H3;1,3H2,2H3;/q;;+1
InChIKeyZXJLVBNPVOOHKQ-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4-methylphenyl)-propylalumanylium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-propylalumanylium?
The IUPAC name of (4-methylphenyl)-propylalumanylium (CID 21465821) is (4-methylphenyl)-propylalumanylium.
What is the SMILES notation for (4-methylphenyl)-propylalumanylium?
The canonical SMILES for (4-methylphenyl)-propylalumanylium is CCC[Al+]c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-propylalumanylium?
The InChIKey is ZXJLVBNPVOOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C3H7.Al/c1-7-5-3-2-4-6-7;1-3-2;/h3-6H,1H3;1,3H2,2H3;/q;;+1.
What are the key properties of (4-methylphenyl)-propylalumanylium?
(4-methylphenyl)-propylalumanylium has a molecular weight of 161.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-propylalumanylium is sourced from PubChem (CID 21465821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).