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

C13H20O2 — CID 174787766

IUPAC5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene
SMILESCCc1cc(C)c(OCCOC)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-12-8-10(2)13(11(3)9-12)15-7-6-14-4/h8-9H,5-7H2,1-4H3
InChIKeyGJNDNIUOEFEYRI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds5

About 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene

5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene (PubChem CID 174787766) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene
PubChem CID174787766
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene
SMILESCCc1cc(C)c(OCCOC)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-12-8-10(2)13(11(3)9-12)15-7-6-14-4/h8-9H,5-7H2,1-4H3
InChIKeyGJNDNIUOEFEYRI-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

N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene
CID 139711879
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 63062027
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
2-[4-[[4-(2-acetyloxyethoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]ethyl acetate
CID 126731074
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855
N-[[4-(4-methoxybutoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
CID 104647029
2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene
CID 54956349
[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
CID 54956081

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene?
The IUPAC name of 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene (CID 174787766) is 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene?
The canonical SMILES for 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene is CCc1cc(C)c(OCCOC)c(C)c1.
What is the InChIKey of 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene?
The InChIKey is GJNDNIUOEFEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-12-8-10(2)13(11(3)9-12)15-7-6-14-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene?
5-ethyl-2-(2-methoxyethoxy)-1,3-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 5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 174787766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).