2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene

C13H20O3 — CID 83057558

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
SMILESCOCCOCCOc1c(C)cccc1C
InChIInChI=1S/C13H20O3/c1-11-5-4-6-12(2)13(11)16-10-9-15-8-7-14-3/h4-6H,7-10H2,1-3H3
InChIKeyHVQYCNNKJPWNFZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.35
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene

2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene (PubChem CID 83057558) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
PubChem CID83057558
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
SMILESCOCCOCCOc1c(C)cccc1C
InChIInChI=1S/C13H20O3/c1-11-5-4-6-12(2)13(11)16-10-9-15-8-7-14-3/h4-6H,7-10H2,1-3H3
InChIKeyHVQYCNNKJPWNFZ-UHFFFAOYSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene 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

N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
5-[2-(2,6-dimethylphenoxy)ethoxy]pentan-1-amine
CID 82353657
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
CID 103181898
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
1,3-dimethyl-2-propoxybenzene
CID 579040
2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280477

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene (CID 83057558) is 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene is COCCOCCOc1c(C)cccc1C.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene?
The InChIKey is HVQYCNNKJPWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-11-5-4-6-12(2)13(11)16-10-9-15-8-7-14-3/h4-6H,7-10H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene?
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene has a molecular weight of 224.30 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 83057558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).