chloro(2-phenylethyl)alumane

C8H10AlCl — CID 172999293

IUPACchloro(2-phenylethyl)alumane
SMILESCl[AlH]CCc1ccccc1
InChIInChI=1S/C8H9.Al.ClH.H/c1-2-8-6-4-3-5-7-8;;;/h3-7H,1-2H2;;1H;/q;+1;;/p-1
InChIKeySBBLTKGOVJNATQ-UHFFFAOYSA-M
MW168.60 g/mol
LogP2.24
Rot. Bonds3

About chloro(2-phenylethyl)alumane

chloro(2-phenylethyl)alumane (PubChem CID 172999293) has the molecular formula C8H10AlCl and a molecular weight of 168.60 g/mol. Its IUPAC name is chloro(2-phenylethyl)alumane.

Molecular Properties

Compound Namechloro(2-phenylethyl)alumane
PubChem CID172999293
Molecular FormulaC8H10AlCl
Molecular Weight168.60 g/mol
Exact Mass168.03
IUPAC Namechloro(2-phenylethyl)alumane
SMILESCl[AlH]CCc1ccccc1
InChIInChI=1S/C8H9.Al.ClH.H/c1-2-8-6-4-3-5-7-8;;;/h3-7H,1-2H2;;1H;/q;+1;;/p-1
InChIKeySBBLTKGOVJNATQ-UHFFFAOYSA-M
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;2-phenylethylbenzene
CID 173109801
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
ethane;methane;2-phenylethylbenzene
CID 158652330
CID 159131095
CID 159131095
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
[4-(2-phenylethyl)phenyl]methanethiol
CID 88715402

Frequently Asked Questions

What is the IUPAC name of chloro(2-phenylethyl)alumane?
The IUPAC name of chloro(2-phenylethyl)alumane (CID 172999293) is chloro(2-phenylethyl)alumane.
What is the SMILES notation for chloro(2-phenylethyl)alumane?
The canonical SMILES for chloro(2-phenylethyl)alumane is Cl[AlH]CCc1ccccc1.
What is the InChIKey of chloro(2-phenylethyl)alumane?
The InChIKey is SBBLTKGOVJNATQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.Al.ClH.H/c1-2-8-6-4-3-5-7-8;;;/h3-7H,1-2H2;;1H;/q;+1;;/p-1.
What are the key properties of chloro(2-phenylethyl)alumane?
chloro(2-phenylethyl)alumane has a molecular weight of 168.60 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(2-phenylethyl)alumane is sourced from PubChem (CID 172999293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).