2-(3,5-Dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane

HCID 21395870
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C(C)(C)c2cc(C)c(OC#N)c(C)c2)cc(C)c1O
InChIKey
OAFPUASJKPSUJF-UHFFFAOYSA-N
Molecular formula
C20H23NO2
Average molar mass
309.4 g/mol
Monoisotopic mass
309.17287898

Names & identifiers

Preferred name
2-(3,5-Dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane
IUPAC
[4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenyl] cyanate

Names & synonyms

SCHEMBL11705986OAFPUASJKPSUJF-UHFFFAOYSA-N2-(3,5-dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane

Database identifiers

PubChem CID
21395870

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
53.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
23

Related reactions

2 records
New reaction record

Linked notes

Loading…