Basic information
- Standard SMILES
O[C@H]1c2ccccc2C=C[C@@H]1Oc1ccccc1Br- InChIKey
IBPGBYDRZYCVJC-HOTGVXAUSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.00989
Names & identifiers
- Preferred name
- (1s,2s)-2-(2-Bromophenoxy)-1,2,-dihydro-naphthalen-1-ol
- IUPAC
- (1S,2S)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-ol
Names & synonyms
SCHEMBL4861335IBPGBYDRZYCVJC-HOTGVXAUSA-N(1s,2s)-2-(2-bromophenoxy)-1,2,-dihydro-naphthalen-1-ol
Database identifiers
- PubChem CID
- 9905032
- Nikkaji
- J1.535.066K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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