Basic information
- CAS
21008-39-9- Standard SMILES
COc1cc2c(cc1O)C(C)C(c1ccccc1)O2- InChIKey
FRERFZXINXYHDY-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Overview
NSC269118 has been reported in Dalbergia retusa with data available.
Names & identifiers
- Preferred name
- 6-Methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-ol
- IUPAC
- 6-methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-ol
Names & synonyms
NSC269118OBTUSAFURAN JURD 2130ghl.PD_Mitscher_leg0.48DTXSID903133336-methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-olNSC-2691186-methoxy-3-methyl-2-phenyl-2,3-dihydrobenzofuran-5-ol5-Benzofuranol, 2,3-dihydro-6-methoxy-3-methyl-2-phenyl-2,3-dihydro-5-hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran
Database identifiers
- CAS
21008-39-9- PubChem CID
- 320674
- DTXSID
DTXSID90313333
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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