4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene

C20H26O4Se2 — CID 13133800

IUPAC4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC[Se][Se]CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H26O4Se2/c1-21-17-7-5-15(13-19(17)23-3)9-11-25-26-12-10-16-6-8-18(22-2)20(14-16)24-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPHZLJNRWCGLREY-UHFFFAOYSA-N
MW488.34 g/mol
LogP3.67
Rot. Bonds11

About 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene

4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene (PubChem CID 13133800) has the molecular formula C20H26O4Se2 and a molecular weight of 488.34 g/mol. Its IUPAC name is 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
PubChem CID13133800
Molecular FormulaC20H26O4Se2
Molecular Weight488.34 g/mol
Exact Mass490.02
IUPAC Name4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC[Se][Se]CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H26O4Se2/c1-21-17-7-5-15(13-19(17)23-3)9-11-25-26-12-10-16-6-8-18(22-2)20(14-16)24-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPHZLJNRWCGLREY-UHFFFAOYSA-N
XLogP3.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
CID 121004210
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
1,2-dimethoxy-4-pent-3-ynylbenzene
CID 54333126
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene (CID 13133800) is 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene is COc1ccc(CC[Se][Se]CCc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene?
The InChIKey is PHZLJNRWCGLREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4Se2/c1-21-17-7-5-15(13-19(17)23-3)9-11-25-26-12-10-16-6-8-18(22-2)20(14-16)24-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene?
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene has a molecular weight of 488.34 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 13133800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).