Basic information
- Standard SMILES
COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(O)cc2)cc1- InChIKey
YEYASRFTCLKCFD-UHFFFAOYSA-N- Molecular formula
- C23H18O4S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.09258022
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-3-(4-Hydroxybenzoyl)-6-Methoxybenzo[b]thiophene
- IUPAC
- (4-hydroxyphenyl)-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
Names & synonyms
SCHEMBL1665792YEYASRFTCLKCFD-UHFFFAOYSA-NDB-1310632-(4-Methoxyphenyl)-3-(4-Hydroxybenzoyl)-6-Methoxybenzo[b]thiophene6-Methoxy-2-(4-methoxyphenyl)-3-(4-hydroxybenzoyl)benzo[b]thiophene(4-Hydroxyphenyl)[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl]methanone(4-hydroxyphenyl)[6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl]methanone[2-(4-Methoxyphenyl)-6-methoxybenzo[b]thien-3-yl][4-hydroxyphenyl]methanone[6-Methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophen-3-yl]-(4-hydroxy-phenyl)-methanone[6-Methoxy-2-(4-methoxyphenyl)benzo [b]thiophen-3-yl](4-hydroxyphenyl)methanone[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-hydroxyphenyl]methanone[6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl](4-hydroxyphenyl)methanone
Show more names
63676-19-7
Database identifiers
- PubChem CID
- 9865197
- Nikkaji
- J3.479.265H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 525
Related reactions
42 records
Compound notes
Loading…