Basic information
- CAS
85139-41-9- Standard SMILES
CC(C)(C)c1cc(CO)ccc1O- InChIKey
SCDJGJZJYBXZRS-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 2-(tert-Butyl)-4-(hydroxymethyl)phenol
- IUPAC
- 2-tert-butyl-4-(hydroxymethyl)phenol
Names & synonyms
2-(tert-Butyl)-4-(hydroxymethyl)phenol85139-41-92-tert-butyl-4-(hydroxymethyl)phenolSCHEMBL5175624DTXSID70621468SB84272
Database identifiers
- CAS
85139-41-9- PubChem CID
- 22011197
- DTXSID
DTXSID70621468- Nikkaji
- J997.127K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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