1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene

C13H20O3 — CID 64764967

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
SMILESCOCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C13H20O3/c1-11-4-5-13(12(2)10-11)16-9-8-15-7-6-14-3/h4-5,10H,6-9H2,1-3H3
InChIKeyXYJFLGACFJJCHH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.35
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene

1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene (PubChem CID 64764967) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
PubChem CID64764967
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
SMILESCOCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C13H20O3/c1-11-4-5-13(12(2)10-11)16-9-8-15-7-6-14-3/h4-5,10H,6-9H2,1-3H3
InChIKeyXYJFLGACFJJCHH-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'}

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Related Compounds

1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
CID 126699664
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene (CID 64764967) is 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene is COCCOCCOc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene?
The InChIKey is XYJFLGACFJJCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-11-4-5-13(12(2)10-11)16-9-8-15-7-6-14-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene?
1-[2-(2-methoxyethoxy)ethoxy]-2,4-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 1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 64764967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).