diethyl-(2-methoxyphenoxy)gallane

C22H34Ga2O4 — CID 135082184

IUPACdiethyl-(2-methoxyphenoxy)gallane
SMILESCC[Ga](CC)Oc1ccccc1OC.CC[Ga](CC)Oc1ccccc1OC
InChIInChI=1S/2C7H8O2.4C2H5.2Ga/c2*1-9-7-5-3-2-4-6(7)8;4*1-2;;/h2*2-5,8H,1H3;4*1H2,2H3;;/q;;;;;;2*+1/p-2
InChIKeyYPYOMXXJKDEBFF-UHFFFAOYSA-L
MW501.96 g/mol
LogP6.21
Rot. Bonds10

About diethyl-(2-methoxyphenoxy)gallane

diethyl-(2-methoxyphenoxy)gallane (PubChem CID 135082184) has the molecular formula C22H34Ga2O4 and a molecular weight of 501.96 g/mol. Its IUPAC name is diethyl-(2-methoxyphenoxy)gallane.

Molecular Properties

Compound Namediethyl-(2-methoxyphenoxy)gallane
PubChem CID135082184
Molecular FormulaC22H34Ga2O4
Molecular Weight501.96 g/mol
Exact Mass500.10
IUPAC Namediethyl-(2-methoxyphenoxy)gallane
SMILESCC[Ga](CC)Oc1ccccc1OC.CC[Ga](CC)Oc1ccccc1OC
InChIInChI=1S/2C7H8O2.4C2H5.2Ga/c2*1-9-7-5-3-2-4-6(7)8;4*1-2;;/h2*2-5,8H,1H3;4*1H2,2H3;;/q;;;;;;2*+1/p-2
InChIKeyYPYOMXXJKDEBFF-UHFFFAOYSA-L
XLogP6.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.96
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze diethyl-(2-methoxyphenoxy)gallane with MolForge

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

Launch Full Analysis

Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1,2-dimethoxybenzene;propanal
CID 174258099
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
azane;2-methoxyphenol
CID 172717837
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-[(2S,3R)-3-deuteriobutan-2-yl]-2-methoxybenzene
CID 102007298
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
1-methoxy-2-propylsulfanyloxybenzene
CID 143447979

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-methoxyphenoxy)gallane?
The IUPAC name of diethyl-(2-methoxyphenoxy)gallane (CID 135082184) is diethyl-(2-methoxyphenoxy)gallane.
What is the SMILES notation for diethyl-(2-methoxyphenoxy)gallane?
The canonical SMILES for diethyl-(2-methoxyphenoxy)gallane is CC[Ga](CC)Oc1ccccc1OC.CC[Ga](CC)Oc1ccccc1OC.
What is the InChIKey of diethyl-(2-methoxyphenoxy)gallane?
The InChIKey is YPYOMXXJKDEBFF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O2.4C2H5.2Ga/c2*1-9-7-5-3-2-4-6(7)8;4*1-2;;/h2*2-5,8H,1H3;4*1H2,2H3;;/q;;;;;;2*+1/p-2.
What are the key properties of diethyl-(2-methoxyphenoxy)gallane?
diethyl-(2-methoxyphenoxy)gallane has a molecular weight of 501.96 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methoxyphenoxy)gallane is sourced from PubChem (CID 135082184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).