Basic information
- Standard SMILES
Cc1cc(C)c(C)c(OCCc2ccc(Br)cc2)c1- InChIKey
OALMQEMOLLYBNO-UHFFFAOYSA-N- Molecular formula
- C17H19BrO
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.06192733
Names & identifiers
- Preferred name
- 1-[2-(4-Bromophenyl)ethoxy]-2,3,5-trimethylbenzene
- IUPAC
- 1-[2-(4-bromophenyl)ethoxy]-2,3,5-trimethylbenzene
Names & synonyms
1-[2-(4-Bromophenyl)ethoxy]-2,3,5-trimethylbenzene625434-14-2SCHEMBL2473484DTXSID60737244OALMQEMOLLYBNO-UHFFFAOYSA-NDB-1620512-(4-Bromophenyl)eth-1-yl 2,3,5-trimethylphenyl ether
Database identifiers
- CAS
625434-14-2- PubChem CID
- 67421610
- DTXSID
DTXSID60737244
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
2 records
Linked notes
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