5-Butyl-7-methoxybenzofuran-4-ol
Basic information
- CAS
99107-50-3- Standard SMILES
CCCCc1cc(OC)c2occc2c1O- InChIKey
VRBQCLCFBYTNPF-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 5-Butyl-7-methoxybenzofuran-4-ol
- IUPAC
- 5-butyl-7-methoxy-1-benzofuran-4-ol
Names & synonyms
5-Butyl-7-methoxybenzofuran-4-ol99107-50-35-butyl-7-methoxy-1-benzofuran-4-olCHEMBL165069SCHEMBL9722929DTXSID10243946
Database identifiers
- CAS
99107-50-3- PubChem CID
- 188484
- DTXSID
DTXSID10243946- ChEMBL
CHEMBL165069
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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