Basic information
- Standard SMILES
COc1ccccc1Sc1ccc2c(c1)C=C(C)C(C)(C)O2- InChIKey
FQMGGKALQUJGKT-UHFFFAOYSA-N- Molecular formula
- C19H20O2S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.11840105
Names & identifiers
- Preferred name
- 6-(2-methoxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran
- IUPAC
- 6-(2-methoxyphenyl)sulfanyl-2,2,3-trimethylchromene
Names & synonyms
SCHEMBL8150694FQMGGKALQUJGKT-UHFFFAOYSA-N6-(2-methoxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran
Database identifiers
- PubChem CID
- 18782865
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
7 records
Linked notes
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