Basic information
- CAS
77880-38-7- Standard SMILES
CNCCC1(c2ccc(OC)c(OC)c2)C=CC(O)CC1- InChIKey
RPZQWNSMMCKOSH-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Names & identifiers
- Preferred name
- 3',4'-Dimethoxy-1-[2-(methylamino)ethyl]-1,2,3,4-tetrahydro[1,1'-biphenyl]-4-ol
- IUPAC
- 4-(3,4-dimethoxyphenyl)-4-[2-(methylamino)ethyl]cyclohex-2-en-1-ol
- English name
- 4-(3,4-Dimethoxyphenyl)-4-[2-(methylamino)ethyl]-2-cyclohexen-1-ol
- Molecular weight
- 0
Names & synonyms
77880-38-7DTXSID805571833',4'-Dimethoxy-1-[2-(methylamino)ethyl]-1,2,3,4-tetrahydro[1,1'-biphenyl]-4-ol4-(3,4-Dimethoxyphenyl)-4-[2-(methylamino)ethyl]-2-cyclohexen-1-ol
Database identifiers
- CAS
77880-38-7- PubChem CID
- 14192585
- DTXSID
DTXSID80557183- Nikkaji
- J145.557E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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