Basic information
- Standard SMILES
CC1=Cc2cc(Sc3ccc(O)cc3)ccc2OC1(C)C- InChIKey
UJLLKCGMJSAHLA-UHFFFAOYSA-N- Molecular formula
- C18H18O2S
- Average molar mass
- 298.4 g/mol
Names & identifiers
- Preferred name
- 6-(4-hydroxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran
- IUPAC
- 4-(2,2,3-trimethylchromen-6-yl)sulfanylphenol
Names & synonyms
SCHEMBL8156069UJLLKCGMJSAHLA-UHFFFAOYSA-N6-(4-hydroxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran
Database identifiers
- PubChem CID
- 18782886
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
6 records
Linked notes
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