1-(2-ethoxyethoxy)-3-ethylbenzene

C12H18O2 — CID 60642871

IUPAC1-(2-ethoxyethoxy)-3-ethylbenzene
SMILESCCOCCOc1cccc(CC)c1
InChIInChI=1S/C12H18O2/c1-3-11-6-5-7-12(10-11)14-9-8-13-4-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyGDAXEMGKUOLWCA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds6

About 1-(2-ethoxyethoxy)-3-ethylbenzene

1-(2-ethoxyethoxy)-3-ethylbenzene (PubChem CID 60642871) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-ethylbenzene.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-ethylbenzene
PubChem CID60642871
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(2-ethoxyethoxy)-3-ethylbenzene
SMILESCCOCCOc1cccc(CC)c1
InChIInChI=1S/C12H18O2/c1-3-11-6-5-7-12(10-11)14-9-8-13-4-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyGDAXEMGKUOLWCA-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
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-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
CID 2922326

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-ethylbenzene?
The IUPAC name of 1-(2-ethoxyethoxy)-3-ethylbenzene (CID 60642871) is 1-(2-ethoxyethoxy)-3-ethylbenzene.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-ethylbenzene?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-ethylbenzene is CCOCCOc1cccc(CC)c1.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-ethylbenzene?
The InChIKey is GDAXEMGKUOLWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-11-6-5-7-12(10-11)14-9-8-13-4-2/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-ethylbenzene?
1-(2-ethoxyethoxy)-3-ethylbenzene has a molecular weight of 194.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-ethylbenzene is sourced from PubChem (CID 60642871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).