Basic information
- CAS
646504-75-8- Standard SMILES
CSc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1- InChIKey
DZIWINHLPKPLAH-UHFFFAOYSA-N- Molecular formula
- C20H18O2S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.10275099
Names & identifiers
- Preferred name
- 4-[(4-Hydroxyphenyl)-(4-methylsulfanylphenyl)methyl]phenol
- IUPAC
- 4-[(4-hydroxyphenyl)-(4-methylsulfanylphenyl)methyl]phenol
Names & synonyms
4-[(4-hydroxyphenyl)-(4-methylsulfanylphenyl)methyl]phenol646504-75-8Phenol, 4,4'-[[4-(methylthio)phenyl]methylene]bis-DTXSID203335694,4'-{[4-(Methylsulfanyl)phenyl]methylene}diphenol
Database identifiers
- CAS
646504-75-8- PubChem CID
- 511798
- DTXSID
DTXSID20333569- Nikkaji
- J1.903.286H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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