2-(1-methoxyethoxy)ethylselanylmethylbenzene

C12H18O2Se — CID 20729103

IUPAC2-(1-methoxyethoxy)ethylselanylmethylbenzene
SMILESCOC(C)OCC[Se]Cc1ccccc1
InChIInChI=1S/C12H18O2Se/c1-11(13-2)14-8-9-15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyFRAXSJXJLZTMLV-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.32
Rot. Bonds7

About 2-(1-methoxyethoxy)ethylselanylmethylbenzene

2-(1-methoxyethoxy)ethylselanylmethylbenzene (PubChem CID 20729103) has the molecular formula C12H18O2Se and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethylselanylmethylbenzene.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethylselanylmethylbenzene
PubChem CID20729103
Molecular FormulaC12H18O2Se
Molecular Weight273.23 g/mol
Exact Mass274.05
IUPAC Name2-(1-methoxyethoxy)ethylselanylmethylbenzene
SMILESCOC(C)OCC[Se]Cc1ccccc1
InChIInChI=1S/C12H18O2Se/c1-11(13-2)14-8-9-15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyFRAXSJXJLZTMLV-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(1-methoxyethoxy)ethylselanylmethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
CID 20729029
(2-benzylselanyl-1-methoxyethyl)benzene
CID 15257784
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene
CID 159741657
1-propoxyethoxymethylbenzene
CID 141304441
1,2,3,4,5,6-hexakis(benzylselanylmethyl)benzene
CID 4054244
1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)
CID 91407102
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
1-methoxyethoxybenzene
CID 18188895
2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene
CID 20729123
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethylselanylmethylbenzene?
The IUPAC name of 2-(1-methoxyethoxy)ethylselanylmethylbenzene (CID 20729103) is 2-(1-methoxyethoxy)ethylselanylmethylbenzene.
What is the SMILES notation for 2-(1-methoxyethoxy)ethylselanylmethylbenzene?
The canonical SMILES for 2-(1-methoxyethoxy)ethylselanylmethylbenzene is COC(C)OCC[Se]Cc1ccccc1.
What is the InChIKey of 2-(1-methoxyethoxy)ethylselanylmethylbenzene?
The InChIKey is FRAXSJXJLZTMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Se/c1-11(13-2)14-8-9-15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethylselanylmethylbenzene?
2-(1-methoxyethoxy)ethylselanylmethylbenzene has a molecular weight of 273.23 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethylselanylmethylbenzene is sourced from PubChem (CID 20729103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).