2-(4-methylphenyl)ethylaluminum(2+) dichloride

C9H11AlCl2 — CID 87071726

IUPAC2-(4-methylphenyl)ethylaluminum(2+) dichloride
SMILESCc1ccc(CC[Al+2])cc1.[Cl-].[Cl-]
InChIInChI=1S/C9H11.Al.2ClH/c1-3-9-6-4-8(2)5-7-9;;;/h4-7H,1,3H2,2H3;;2*1H/q;+2;;/p-2
InChIKeyVIVBTDXQKVACDD-UHFFFAOYSA-L
MW217.08 g/mol
LogP-3.87
Rot. Bonds2

About 2-(4-methylphenyl)ethylaluminum(2+) dichloride

2-(4-methylphenyl)ethylaluminum(2+) dichloride (PubChem CID 87071726) has the molecular formula C9H11AlCl2 and a molecular weight of 217.08 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethylaluminum(2+) dichloride.

Molecular Properties

Compound Name2-(4-methylphenyl)ethylaluminum(2+) dichloride
PubChem CID87071726
Molecular FormulaC9H11AlCl2
Molecular Weight217.08 g/mol
Exact Mass216.01
IUPAC Name2-(4-methylphenyl)ethylaluminum(2+) dichloride
SMILESCc1ccc(CC[Al+2])cc1.[Cl-].[Cl-]
InChIInChI=1S/C9H11.Al.2ClH/c1-3-9-6-4-8(2)5-7-9;;;/h4-7H,1,3H2,2H3;;2*1H/q;+2;;/p-2
InChIKeyVIVBTDXQKVACDD-UHFFFAOYSA-L
XLogP-3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 5-3.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
1-(3-iodopropyl)-4-methylbenzene
CID 18402542
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethylaluminum(2+) dichloride?
The IUPAC name of 2-(4-methylphenyl)ethylaluminum(2+) dichloride (CID 87071726) is 2-(4-methylphenyl)ethylaluminum(2+) dichloride.
What is the SMILES notation for 2-(4-methylphenyl)ethylaluminum(2+) dichloride?
The canonical SMILES for 2-(4-methylphenyl)ethylaluminum(2+) dichloride is Cc1ccc(CC[Al+2])cc1.[Cl-].[Cl-].
What is the InChIKey of 2-(4-methylphenyl)ethylaluminum(2+) dichloride?
The InChIKey is VIVBTDXQKVACDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11.Al.2ClH/c1-3-9-6-4-8(2)5-7-9;;;/h4-7H,1,3H2,2H3;;2*1H/q;+2;;/p-2.
What are the key properties of 2-(4-methylphenyl)ethylaluminum(2+) dichloride?
2-(4-methylphenyl)ethylaluminum(2+) dichloride has a molecular weight of 217.08 g/mol, XLogP of -3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethylaluminum(2+) dichloride is sourced from PubChem (CID 87071726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).