phenylmethoxyalumane

C7H9AlO — CID 153167769

IUPACphenylmethoxyalumane
SMILES[AlH2]OCc1ccccc1
InChIInChI=1S/C7H7O.Al.2H/c8-6-7-4-2-1-3-5-7;;;/h1-5H,6H2;;;/q-1;+1;;
InChIKeyWDPFEKXKNUMIDH-UHFFFAOYSA-N
MW136.13 g/mol
LogP0.75
Rot. Bonds2

About phenylmethoxyalumane

phenylmethoxyalumane (PubChem CID 153167769) has the molecular formula C7H9AlO and a molecular weight of 136.13 g/mol. Its IUPAC name is phenylmethoxyalumane.

Molecular Properties

Compound Namephenylmethoxyalumane
PubChem CID153167769
Molecular FormulaC7H9AlO
Molecular Weight136.13 g/mol
Exact Mass136.05
IUPAC Namephenylmethoxyalumane
SMILES[AlH2]OCc1ccccc1
InChIInChI=1S/C7H7O.Al.2H/c8-6-7-4-2-1-3-5-7;;;/h1-5H,6H2;;;/q-1;+1;;
InChIKeyWDPFEKXKNUMIDH-UHFFFAOYSA-N
XLogP0.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenylmethoxyalumane?
The IUPAC name of phenylmethoxyalumane (CID 153167769) is phenylmethoxyalumane.
What is the SMILES notation for phenylmethoxyalumane?
The canonical SMILES for phenylmethoxyalumane is [AlH2]OCc1ccccc1.
What is the InChIKey of phenylmethoxyalumane?
The InChIKey is WDPFEKXKNUMIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.Al.2H/c8-6-7-4-2-1-3-5-7;;;/h1-5H,6H2;;;/q-1;+1;;.
What are the key properties of phenylmethoxyalumane?
phenylmethoxyalumane has a molecular weight of 136.13 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxyalumane is sourced from PubChem (CID 153167769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).