2-Propanol, 1-(p-sec-butylphenoxy)-
Basic information
- CAS
121-99-3- Standard SMILES
CCC(C)c1ccc(OCC(C)O)cc1- InChIKey
GBRILULHTCGXKY-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 2-Propanol, 1-(p-sec-butylphenoxy)-
- IUPAC
- 1-(4-butan-2-ylphenoxy)propan-2-ol
Names & synonyms
2-Propanol, 1-(p-sec-butylphenoxy)-121-99-3Dowanol 43BNSC2258SCHEMBL27709852DTXSID10277408NSC-22581-[4-(butan-2-yl)phenoxy]propan-2-ol2-Propanol, 1-[4-(1-methylpropyl)phenoxy]-
Database identifiers
- CAS
121-99-3- PubChem CID
- 220040
- DTXSID
DTXSID10277408
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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