Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl-

HCID 521940

Basic information

CAS
60772-80-7
Standard SMILES
COc1c(C)cccc1C(C)(C)C
InChIKey
XLPWABAEWSNQJE-UHFFFAOYSA-N
Molecular formula
C12H18O
Average molar mass
178.27 g/mol
Monoisotopic mass
178.1357652

Names & identifiers

Preferred name
Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl-
IUPAC
1-tert-butyl-2-methoxy-3-methylbenzene

Names & synonyms

60772-80-7Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl-1-(1,1-Dimethylethyl)-2-methoxy-3-methylbenzene1-tert-butyl-2-methoxy-3-methylbenzene2-Methyl-6-t-butylanisole3-t-butyl-2-methoxytolueneSCHEMBL11646260SCHEMBL16957908DTXSID60334792MFCD281276191-tert-Butyl-2-methoxy-3-methyl-benzeneDA-29047
Show more names
2-tert-Butyl-6-methylphenol, methyl ether

Database identifiers

CAS
60772-80-7
PubChem CID
521940
DTXSID
DTXSID60334792

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Related reactions

6 records

Compound notes

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