1-(3-ethoxypropoxy)-3-ethylbenzene

C13H20O2 — CID 65178127

IUPAC1-(3-ethoxypropoxy)-3-ethylbenzene
SMILESCCOCCCOc1cccc(CC)c1
InChIInChI=1S/C13H20O2/c1-3-12-7-5-8-13(11-12)15-10-6-9-14-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyZJQDOUAHRIJTIG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds7

About 1-(3-ethoxypropoxy)-3-ethylbenzene

1-(3-ethoxypropoxy)-3-ethylbenzene (PubChem CID 65178127) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-ethoxypropoxy)-3-ethylbenzene.

Molecular Properties

Compound Name1-(3-ethoxypropoxy)-3-ethylbenzene
PubChem CID65178127
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-ethoxypropoxy)-3-ethylbenzene
SMILESCCOCCCOc1cccc(CC)c1
InChIInChI=1S/C13H20O2/c1-3-12-7-5-8-13(11-12)15-10-6-9-14-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyZJQDOUAHRIJTIG-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
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-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
4-(3-ethylphenoxy)butanamide
CID 82040637
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropoxy)-3-ethylbenzene?
The IUPAC name of 1-(3-ethoxypropoxy)-3-ethylbenzene (CID 65178127) is 1-(3-ethoxypropoxy)-3-ethylbenzene.
What is the SMILES notation for 1-(3-ethoxypropoxy)-3-ethylbenzene?
The canonical SMILES for 1-(3-ethoxypropoxy)-3-ethylbenzene is CCOCCCOc1cccc(CC)c1.
What is the InChIKey of 1-(3-ethoxypropoxy)-3-ethylbenzene?
The InChIKey is ZJQDOUAHRIJTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-12-7-5-8-13(11-12)15-10-6-9-14-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-(3-ethoxypropoxy)-3-ethylbenzene?
1-(3-ethoxypropoxy)-3-ethylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropoxy)-3-ethylbenzene is sourced from PubChem (CID 65178127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).