3,8-Dimethyl-5-(propan-2-yl)azulen-1-ol
Basic information
- CAS
127808-11-1- Standard SMILES
Cc1cc(O)c2c(C)ccc(C(C)C)cc1-2- InChIKey
GRCUHRNSSQDAMT-UHFFFAOYSA-N- Molecular formula
- C15H18O
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.13576519
Names & identifiers
- Preferred name
- 3,8-Dimethyl-5-(propan-2-yl)azulen-1-ol
- IUPAC
- 3,8-dimethyl-5-propan-2-ylazulen-1-ol
Names & synonyms
127808-11-13,8-Dimethyl-5-(propan-2-yl)azulen-1-olDTXSID10560382
Database identifiers
- CAS
127808-11-1- PubChem CID
- 14446366
- DTXSID
DTXSID10560382
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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