4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol

C16H18O2Se2 — CID 59843656

IUPAC4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol
SMILESCc1cc([Se][Se]c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C16H18O2Se2/c1-9-5-13(6-10(2)15(9)17)19-20-14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
InChIKeyYHDGKIGRCWWQOI-UHFFFAOYSA-N
MW400.24 g/mol
LogP1.61
Rot. Bonds3

About 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol

4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol (PubChem CID 59843656) has the molecular formula C16H18O2Se2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol
PubChem CID59843656
Molecular FormulaC16H18O2Se2
Molecular Weight400.24 g/mol
Exact Mass401.96
IUPAC Name4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol
SMILESCc1cc([Se][Se]c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C16H18O2Se2/c1-9-5-13(6-10(2)15(9)17)19-20-14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
InChIKeyYHDGKIGRCWWQOI-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
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 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol (CID 59843656) is 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol is Cc1cc([Se][Se]c2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol?
The InChIKey is YHDGKIGRCWWQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2Se2/c1-9-5-13(6-10(2)15(9)17)19-20-14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3.
What are the key properties of 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol?
4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol has a molecular weight of 400.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol is sourced from PubChem (CID 59843656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).