4-Tert-butyl-2-(1-hydroxy-2-methylpropan-2-yl)-5-nitrophenol

HCID 59544153
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1[N+](=O)[O-]
InChIKey
QWPPRYNAFSMARM-UHFFFAOYSA-N
Molecular formula
C14H21NO4
Average molar mass
267.32 g/mol

Names & identifiers

Preferred name
4-Tert-butyl-2-(1-hydroxy-2-methylpropan-2-yl)-5-nitrophenol
IUPAC
4-tert-butyl-2-(1-hydroxy-2-methylpropan-2-yl)-5-nitrophenol

Names & synonyms

4-tert-butyl-2-(1-hydroxy-2-methylpropan-2-yl)-5-nitrophenol1246213-35-3SCHEMBL376977QWPPRYNAFSMARM-UHFFFAOYSA-NDB-316771

Database identifiers

PubChem CID
59544153

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
86.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

7 records
New reaction record

Linked notes

Loading…