1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene

HCID 617870

Basic information

Standard SMILES
COc1c(Br)cc(C)cc1C(C)(C)C
InChIKey
MLHDMUNFEWJXRL-UHFFFAOYSA-N
Molecular formula
C12H17BrO
Average molar mass
257.17 g/mol

Names & identifiers

Preferred name
1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene
IUPAC
1-bromo-3-tert-butyl-2-methoxy-5-methylbenzene

Names & synonyms

1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene117439-55-11-Bromo-3-(1,1-dimethylethyl)-2-methoxy-5-methylbenzeneSCHEMBL1627319MFCD219937351-Bromo-3-(t-butyl)-2-methoxy-5-methylbenZene2-methoxy-1-bromo-3-tert-butyl-5-methylbenzene1-bromo-3-(tert-butyl)-2-methoxy-5-methylbenzene

Database identifiers

PubChem CID
617870
Nikkaji
J1.407.314K

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Related reactions

5 records

Compound notes

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