diphenoxy(propan-2-yl)alumane

C15H17AlO2 — CID 140617809

IUPACdiphenoxy(propan-2-yl)alumane
SMILESCC(C)[Al](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/2C6H6O.C3H7.Al/c2*7-6-4-2-1-3-5-6;1-3-2;/h2*1-5,7H;3H,1-2H3;/q;;;+2/p-2
InChIKeyRLIISZDGJOYVND-UHFFFAOYSA-L
MW256.28 g/mol
LogP4.04
Rot. Bonds5

About diphenoxy(propan-2-yl)alumane

diphenoxy(propan-2-yl)alumane (PubChem CID 140617809) has the molecular formula C15H17AlO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is diphenoxy(propan-2-yl)alumane.

Molecular Properties

Compound Namediphenoxy(propan-2-yl)alumane
PubChem CID140617809
Molecular FormulaC15H17AlO2
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Namediphenoxy(propan-2-yl)alumane
SMILESCC(C)[Al](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/2C6H6O.C3H7.Al/c2*7-6-4-2-1-3-5-6;1-3-2;/h2*1-5,7H;3H,1-2H3;/q;;;+2/p-2
InChIKeyRLIISZDGJOYVND-UHFFFAOYSA-L
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethoxy(phenoxy)alumane
CID 70465239
dimethyl(diphenoxy)phosphanium
CID 118068912
ditert-butyl(phenoxy)alumane
CID 16696692
alumanyloxy-methyl-phenoxyalumane
CID 154104509
1-methoxyethoxybenzene
CID 18188895
1-phenoxyethanol
CID 66611531
[(1R)-1-fluoroethoxy]benzene
CID 175733278
anisole;ethane;methane;2-methylpropane
CID 159356491
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
dioctyl(phenoxy)alumane
CID 86089915
N-(1-phenoxyethyl)aniline
CID 21395897
1-phenoxyethanol;trihydrate
CID 175915128

Frequently Asked Questions

What is the IUPAC name of diphenoxy(propan-2-yl)alumane?
The IUPAC name of diphenoxy(propan-2-yl)alumane (CID 140617809) is diphenoxy(propan-2-yl)alumane.
What is the SMILES notation for diphenoxy(propan-2-yl)alumane?
The canonical SMILES for diphenoxy(propan-2-yl)alumane is CC(C)[Al](Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxy(propan-2-yl)alumane?
The InChIKey is RLIISZDGJOYVND-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O.C3H7.Al/c2*7-6-4-2-1-3-5-6;1-3-2;/h2*1-5,7H;3H,1-2H3;/q;;;+2/p-2.
What are the key properties of diphenoxy(propan-2-yl)alumane?
diphenoxy(propan-2-yl)alumane has a molecular weight of 256.28 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxy(propan-2-yl)alumane is sourced from PubChem (CID 140617809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).