1,4-Dimethyldibenzo[b,d]furan
Basic information
- CAS
17058-06-9- Standard SMILES
Cc1ccc(C)c2c1oc1ccccc12- InChIKey
WXEUNMLLUKXQFI-UHFFFAOYSA-N- Molecular formula
- C14H12O
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.088815
Names & identifiers
- Preferred name
- 1,4-Dimethyldibenzo[b,d]furan
- IUPAC
- 1,4-dimethyldibenzofuran
Names & synonyms
1,4-dimethyldibenzo[b,d]furan17058-06-91,4-dimethyldibenzofuranNSC110352SCHEMBL14465618WXEUNMLLUKXQFI-UHFFFAOYSA-DTXSID60296604NSC-110352DB-301134InChI=1/C14H12O/c1-9-7-8-10(2)14-13(9)11-5-3-4-6-12(11)15-14/h3-8H,1-2H3
Database identifiers
- CAS
17058-06-9- PubChem CID
- 269381
- DTXSID
DTXSID60296604
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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