Methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoate

HCID 59544161

Basic information

Standard SMILES
COC(=O)C(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])cc1O
InChIKey
BDQKZONAYORPQO-UHFFFAOYSA-N
Molecular formula
C15H21NO5
Average molar mass
295.33 g/mol

Names & identifiers

Preferred name
Methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoate
IUPAC
methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoate

Names & synonyms

1246213-34-2methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoateSCHEMBL377035BDQKZONAYORPQO-UHFFFAOYSA-N5-(1,1-Dimethylethyl)-2-hydroxy-alpha,alpha-dimethyl-4-nitro-benzeneacetic Acid Methyl EsterDB-319841Methyl 2-(5-(tert-butyl)-2-hydroxy-4-nitrophenyl)-2-methylpropanoate

Database identifiers

PubChem CID
59544161

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

Related reactions

13 records

Compound notes

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