2-ethoxy-1,3-dimethylbenzene;trichloroalumane

C10H14AlCl3O — CID 175224495

IUPAC2-ethoxy-1,3-dimethylbenzene;trichloroalumane
SMILESCCOc1c(C)cccc1C.Cl[Al](Cl)Cl
InChIInChI=1S/C10H14O.Al.3ClH/c1-4-11-10-8(2)6-5-7-9(10)3;;;;/h5-7H,4H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyVRNFFTIQIFJQDM-UHFFFAOYSA-K
MW283.56 g/mol
LogP4.39
Rot. Bonds2

About 2-ethoxy-1,3-dimethylbenzene;trichloroalumane

2-ethoxy-1,3-dimethylbenzene;trichloroalumane (PubChem CID 175224495) has the molecular formula C10H14AlCl3O and a molecular weight of 283.56 g/mol. Its IUPAC name is 2-ethoxy-1,3-dimethylbenzene;trichloroalumane.

Molecular Properties

Compound Name2-ethoxy-1,3-dimethylbenzene;trichloroalumane
PubChem CID175224495
Molecular FormulaC10H14AlCl3O
Molecular Weight283.56 g/mol
Exact Mass281.99
IUPAC Name2-ethoxy-1,3-dimethylbenzene;trichloroalumane
SMILESCCOc1c(C)cccc1C.Cl[Al](Cl)Cl
InChIInChI=1S/C10H14O.Al.3ClH/c1-4-11-10-8(2)6-5-7-9(10)3;;;;/h5-7H,4H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyVRNFFTIQIFJQDM-UHFFFAOYSA-K
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethoxy-1,3-dimethylbenzene;trichloroalumane 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

ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
CID 163214352
1-chloro-3-(2-ethoxy-3-methylphenyl)propan-2-one
CID 134616928
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
1,3-dimethyl-2-propoxybenzene
CID 579040
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
2-decoxy-1,3-dimethylbenzene
CID 83057478
2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
CID 63628446
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
2-ethoxy-3-ethyl-1,4-dimethylbenzene
CID 145358805

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-dimethylbenzene;trichloroalumane?
The IUPAC name of 2-ethoxy-1,3-dimethylbenzene;trichloroalumane (CID 175224495) is 2-ethoxy-1,3-dimethylbenzene;trichloroalumane.
What is the SMILES notation for 2-ethoxy-1,3-dimethylbenzene;trichloroalumane?
The canonical SMILES for 2-ethoxy-1,3-dimethylbenzene;trichloroalumane is CCOc1c(C)cccc1C.Cl[Al](Cl)Cl.
What is the InChIKey of 2-ethoxy-1,3-dimethylbenzene;trichloroalumane?
The InChIKey is VRNFFTIQIFJQDM-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14O.Al.3ClH/c1-4-11-10-8(2)6-5-7-9(10)3;;;;/h5-7H,4H2,1-3H3;;3*1H/q;+3;;;/p-3.
What are the key properties of 2-ethoxy-1,3-dimethylbenzene;trichloroalumane?
2-ethoxy-1,3-dimethylbenzene;trichloroalumane has a molecular weight of 283.56 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-dimethylbenzene;trichloroalumane is sourced from PubChem (CID 175224495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).