[3-Bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
Basic information
- CAS
775294-95-6- Standard SMILES
COc1cc(CO)cc(Br)c1OCc1cccnc1- InChIKey
JOONJVGSQLVVGH-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO3
- Average molar mass
- 324.17 g/mol
- Monoisotopic mass
- 323.01571
Names & identifiers
- Preferred name
- [3-Bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
- IUPAC
- [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
- English name
- [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methanol
- Molecular formula
- C14H14BrNO3
- Molecular weight
- 324.17
Names & synonyms
775294-95-6[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol[3-Bromo-5-methoxy-4-(pyridin-3-ylmethoxy)-phenyl]-methanolSMR000047916(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl)methanolMLS000084402MLS002584767CHEMBL1489289HMS1602N07HMS2373F23STK863049AKOS001480257
Show more names
3-Bromo-5-methoxy-4-(3-pyridinylmethoxy)benzenemethanolBenzenemethanol, 3-bromo-5-methoxy-4-(3-pyridinylmethoxy)-
AN-465/43333308SR-01000302832SR-01000302832-1[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methanol
Database identifiers
- CAS
775294-95-6- PubChem CID
- 666571
- ChEMBL
CHEMBL1489289
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 461.2 · 461.2±40.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- pka
- 13.86 · 13.86±0.10(Predicted)
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Related reactions
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Compound notes
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