Basic information
- Standard SMILES
CC1(C)OC(=O)c2ccccc2C1n1cncc1CO- InChIKey
PMAMZJXPHVPEGM-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
Names & identifiers
- Preferred name
- 4-(5-Hydroxymethyl-imidazol-1-yl)-3,3-dimethyl-isochroman-1-one
- IUPAC
- 4-[5-(hydroxymethyl)imidazol-1-yl]-3,3-dimethyl-4H-isochromen-1-one
Names & synonyms
4-(5-hydroxymethyl-imidazol-1-yl)-3,3-dimethyl-isochroman-1-one952492-35-2SCHEMBL1096593PMAMZJXPHVPEGM-UHFFFAOYSA-NDB-2184204-(5-(hydroxymethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one
Database identifiers
- PubChem CID
- 57781122
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
12 records
Compound notes
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