1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene

C14H14O2Se2 — CID 5324145

IUPAC1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene
SMILESCOc1ccc([Se][Se]c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O2Se2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKeyRLDSFBXSHHFHGA-UHFFFAOYSA-N
MW372.18 g/mol
LogP0.98
Rot. Bonds5

About 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene

1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene (PubChem CID 5324145) has the molecular formula C14H14O2Se2 and a molecular weight of 372.18 g/mol. Its IUPAC name is 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene
PubChem CID5324145
Molecular FormulaC14H14O2Se2
Molecular Weight372.18 g/mol
Exact Mass373.93
IUPAC Name1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene
SMILESCOc1ccc([Se][Se]c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O2Se2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKeyRLDSFBXSHHFHGA-UHFFFAOYSA-N
XLogP0.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene?
The IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene (CID 5324145) is 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene?
The canonical SMILES for 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene is COc1ccc([Se][Se]c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene?
The InChIKey is RLDSFBXSHHFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2Se2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene?
1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene has a molecular weight of 372.18 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene is sourced from PubChem (CID 5324145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).