1-(3-Bromo-2-methoxy-phenyl)-3-phenyl-prop-2-yn-1-ol
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Basic information
- Standard SMILES
COc1c(Br)cccc1C(O)C#Cc1ccccc1- InChIKey
BLKVOZXUWOVOJQ-UHFFFAOYSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.00989
Names & identifiers
- Preferred name
- 1-(3-Bromo-2-methoxy-phenyl)-3-phenyl-prop-2-yn-1-ol
- IUPAC
- 1-(3-bromo-2-methoxyphenyl)-3-phenylprop-2-yn-1-ol
Names & synonyms
SCHEMBL1534540BLKVOZXUWOVOJQ-UHFFFAOYSA-N1-(3-Bromo-2-methoxy-phenyl)-3-phenyl-prop-2-yn-1-ol
Database identifiers
- PubChem CID
- 67067751
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
1 records
Compound notes
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