Basic information
- CAS
120450-72-8- Standard SMILES
COc1ccc([C@@H](O)c2ccc([C@@H](O)c3ccc(OC)cc3)s2)cc1- InChIKey
LXYCLQHBIQRNDH-BGYRXZFFSA-N- Molecular formula
- C20H20O4S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.10823029
Names & identifiers
- Preferred name
- 2,5-Bis(4-methoxyphenylhydroxymethyl)thiophene
- IUPAC
- (S)-[5-[(R)-hydroxy-(4-methoxyphenyl)methyl]thiophen-2-yl]-(4-methoxyphenyl)methanol
- English name
- 2,5-bis(4-methoxyphenylhydroxymethyl)thiophene
- Molecular formula
- C20H20O4S
- Molecular weight
- 356.44
Names & synonyms
2,5-Bmphmt2,5-Bis(4-methoxyphenylhydroxymethyl)thiophene120450-72-8RefChem:82711(R)-[5-[(S)-hydroxy-(4-methoxyphenyl)methyl]thiophen-2-yl]-(4-methoxyphenyl)methanol2,5-Thiophenedimethanol, alpha,alpha'-bis(4-methoxyphenyl)-, (R*,S*)-2,5-Thiophenedimethanol, α,α'-bis(4-methoxyphenyl)-, (R*,S*)- (9CI)
Database identifiers
- CAS
120450-72-8- PubChem CID
- 129152
- Nikkaji
- J1.777.857I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 566.001 · 566.001±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.839 · 12.839±0.20(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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