3-{3-Bromo-4-[(propan-2-yl)oxy]phenyl}propan-1-ol
Basic information
- CAS
594858-54-5- Standard SMILES
CC(C)Oc1ccc(CCCO)cc1Br- InChIKey
FSCUAHRGXYIAOI-UHFFFAOYSA-N- Molecular formula
- C12H17BrO2
- Average molar mass
- 273.17 g/mol
- Monoisotopic mass
- 272.04119
Names & identifiers
- Preferred name
- 3-{3-Bromo-4-[(propan-2-yl)oxy]phenyl}propan-1-ol
- IUPAC
- 3-(3-bromo-4-propan-2-yloxyphenyl)propan-1-ol
Names & synonyms
594858-54-53-{3-Bromo-4-[(propan-2-yl)oxy]phenyl}propan-1-olDTXSID10787133
Database identifiers
- CAS
594858-54-5- PubChem CID
- 71363618
- DTXSID
DTXSID10787133- Nikkaji
- J1.935.118A
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 173
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…