2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol

C14H14O2Se2 — CID 86066377

IUPAC2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol
SMILESOc1ccccc1C[Se][Se]Cc1ccccc1O
InChIInChI=1S/C14H14O2Se2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-8,15-16H,9-10H2
InChIKeyXGDPQXNSGIEEPB-UHFFFAOYSA-N
MW372.18 g/mol
LogP2.12
Rot. Bonds5

About 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol

2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol (PubChem CID 86066377) has the molecular formula C14H14O2Se2 and a molecular weight of 372.18 g/mol. Its IUPAC name is 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol
PubChem CID86066377
Molecular FormulaC14H14O2Se2
Molecular Weight372.18 g/mol
Exact Mass373.93
IUPAC Name2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol
SMILESOc1ccccc1C[Se][Se]Cc1ccccc1O
InChIInChI=1S/C14H14O2Se2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-8,15-16H,9-10H2
InChIKeyXGDPQXNSGIEEPB-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol 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

CID 175749710
CID 175749710
(2-hydroxyphenyl)methylazanium
CID 6930904
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 147052016
CID 147052016
CID 137424646
CID 137424646
2-(aminomethyl)phenol;methane
CID 158060419
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
benzene;2-ethylphenol
CID 159726745
2-(triethylsilylmethyl)phenol
CID 174733436
(2-hydroxyphenyl)methyl-methylazanium
CID 36689670

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol?
The IUPAC name of 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol (CID 86066377) is 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol.
What is the SMILES notation for 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol?
The canonical SMILES for 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol is Oc1ccccc1C[Se][Se]Cc1ccccc1O.
What is the InChIKey of 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol?
The InChIKey is XGDPQXNSGIEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2Se2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-8,15-16H,9-10H2.
What are the key properties of 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol?
2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol has a molecular weight of 372.18 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol is sourced from PubChem (CID 86066377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).