1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene

C13H20O2 — CID 143169475

IUPAC1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
SMILESCCc1ccc(OCCOC)c(C)c1C
InChIInChI=1S/C13H20O2/c1-5-12-6-7-13(11(3)10(12)2)15-9-8-14-4/h6-7H,5,8-9H2,1-4H3
InChIKeyBLUCPVJQISWISJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds5

About 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene

1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene (PubChem CID 143169475) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
PubChem CID143169475
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
SMILESCCc1ccc(OCCOC)c(C)c1C
InChIInChI=1S/C13H20O2/c1-5-12-6-7-13(11(3)10(12)2)15-9-8-14-4/h6-7H,5,8-9H2,1-4H3
InChIKeyBLUCPVJQISWISJ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
3-ethyl-2-methoxy-6-(2-methoxyethoxy)pyridine
CID 70955090
disodium;(4-ethyl-2,3-dimethylphenoxy)-dioxidoborane
CID 172709320
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene
CID 58551231
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
1-(bromomethyl)-4-ethyl-2-(2-methoxyethoxy)benzene
CID 18941608
3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene
CID 118460480
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304
2-(4-methoxy-2,3-dimethylphenyl)-N-(3-methoxypropyl)acetamide
CID 110769636

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene?
The IUPAC name of 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene (CID 143169475) is 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene.
What is the SMILES notation for 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene?
The canonical SMILES for 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene is CCc1ccc(OCCOC)c(C)c1C.
What is the InChIKey of 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene?
The InChIKey is BLUCPVJQISWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-12-6-7-13(11(3)10(12)2)15-9-8-14-4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene?
1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene has a molecular weight of 208.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene is sourced from PubChem (CID 143169475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).