5,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-one
Basic information
- CAS
52644-01-6- Standard SMILES
COc1ccc2c(c1OC)CCC(=O)C2- InChIKey
OBBIBUQLAQRGFP-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.09429431
Names & identifiers
- Preferred name
- 5,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-one
- IUPAC
- 5,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-one
- English name
- 5,6-Dimethoxy-2-tetralone
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
52644-01-65,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-oneDTXSID30404855RefChem:298684DTXCID003557095,6-dimethoxy-2-tetralone5,6-dimethoxy-3,4-dihydronaphthalen-2(1H)-one5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-oneSCHEMBL2959606OBBIBUQLAQRGFP-UHFFFAOYSA-NDB-3497415,6-dimethoxy-3,4-dihydro-2(1H)-naphthalenone
Show more names
2(1H)-Naphthalenone, 3,4-dihydro-5,6-dimethoxy-
Database identifiers
- CAS
52644-01-6- PubChem CID
- 4610752
- DTXSID
DTXSID30404855- Nikkaji
- J1.823.284G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 62 · 62-64 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 357.7 · 357.7±42.0 °C(Predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
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Related reactions
4 records
Compound notes
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