Basic information
- CAS
123332-43-4- Standard SMILES
CCCCc1c(CCCC)c(OC)c2occc2c1O- InChIKey
XIXZNMIOSSSXPJ-UHFFFAOYSA-N- Molecular formula
- C17H24O3
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.17254462
Names & identifiers
- Preferred name
- 1-Benzofuran-4-ol, 5,6-dibutyl-7-methoxy-
- IUPAC
- 5,6-dibutyl-7-methoxy-1-benzofuran-4-ol
Names & synonyms
5,6-Dibutyl-7-methoxy-1-benzofuran-4-ol1-Benzofuran-4-ol, 5,6-dibutyl-7-methoxy-123332-43-4CHEMBL165017DTXSID50153974
Database identifiers
- CAS
123332-43-4- PubChem CID
- 183641
- DTXSID
DTXSID50153974- ChEMBL
CHEMBL165017
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 42.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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