4-[(4-hydroxyphenyl)diselanyl]phenol

C12H10O2Se2 — CID 86023020

IUPAC4-[(4-hydroxyphenyl)diselanyl]phenol
SMILESOc1ccc([Se][Se]c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2Se2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyIYMIPGFVFBAPOK-UHFFFAOYSA-N
MW344.13 g/mol
LogP0.37
Rot. Bonds3

About 4-[(4-hydroxyphenyl)diselanyl]phenol

4-[(4-hydroxyphenyl)diselanyl]phenol (PubChem CID 86023020) has the molecular formula C12H10O2Se2 and a molecular weight of 344.13 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)diselanyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)diselanyl]phenol
PubChem CID86023020
Molecular FormulaC12H10O2Se2
Molecular Weight344.13 g/mol
Exact Mass345.90
IUPAC Name4-[(4-hydroxyphenyl)diselanyl]phenol
SMILESOc1ccc([Se][Se]c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2Se2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyIYMIPGFVFBAPOK-UHFFFAOYSA-N
XLogP0.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxyphenyl)diselanyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)diselanyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)diselanyl]phenol (CID 86023020) is 4-[(4-hydroxyphenyl)diselanyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)diselanyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)diselanyl]phenol is Oc1ccc([Se][Se]c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)diselanyl]phenol?
The InChIKey is IYMIPGFVFBAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2Se2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H.
What are the key properties of 4-[(4-hydroxyphenyl)diselanyl]phenol?
4-[(4-hydroxyphenyl)diselanyl]phenol has a molecular weight of 344.13 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)diselanyl]phenol is sourced from PubChem (CID 86023020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).