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
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
6 records
Compound notes
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