Basic information
- Standard SMILES
CC(C)(C)c1ccc2c(c1)OCCC2=O- InChIKey
MFOHYUXVMNIPOL-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 7-(Tert-butyl)chroman-4-one
- IUPAC
- 7-tert-butyl-2,3-dihydrochromen-4-one
Names & synonyms
7-(TERT-BUTYL)CHROMAN-4-ONE890838-92-37-tert-Butyl-chroman-4-oneSCHEMBL696080MFOHYUXVMNIPOL-UHFFFAOYSA-NMFCD17010037MB69145SY375895
Database identifiers
- PubChem CID
- 59548541
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
11 records
Compound notes
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