Basic information
- CAS
91967-51-0- Standard SMILES
COc1ccccc1CC(C)C- InChIKey
WROWBVQEHWPHIT-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- o-Isobutylanisole
- IUPAC
- 1-methoxy-2-(2-methylpropyl)benzene
- English name
- o-isobutylanisole
- Molecular formula
- C11H16O
- Molecular weight
- 164.24414
Names & synonyms
o-Isobutylanisole91967-51-01-methoxy-2-(2-methylpropyl)benzene2-isobutylanisoleBenzene, 1-methoxy-2-(2-methylpropyl)-EINECS 295-246-0Anisole, o-isobutyl-Q4SL3PZ2NNSCHEMBL878976SCHEMBL3719914SCHEMBL6618219DTXSID60238802
Show more names
AKOS024437731NS00039417
Database identifiers
- CAS
91967-51-0- PubChem CID
- 3045304
- DTXSID
DTXSID60238802- UNII
- Q4SL3PZ2NN
- EC Number
- 295-246-0
- Nikkaji
- J318.985F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- FDA UNII
- 4 SL3PZ2NN · Q4SL3PZ2NN
Chemistry & industry
Suppliers2 total
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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