Basic information
- CAS
4503-82-6- Standard SMILES
COc1cc(C(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)ccc1O- InChIKey
XMVXWHXQTGZPMH-UHFFFAOYSA-N- Molecular formula
- C22H22O6
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.14163842
Names & identifiers
- Preferred name
- 4-[Bis(4-hydroxy-3-methoxyphenyl)methyl]-2-methoxyphenol
- IUPAC
- 4-[bis(4-hydroxy-3-methoxyphenyl)methyl]-2-methoxyphenol
Names & synonyms
4503-82-6CHEMBL10967844,4',4''-methanetriyltris(2-methoxyphenol)4-[bis(4-hydroxy-3-methoxyphenyl)methyl]-2-methoxyphenolNSC19939SCHEMBL20563424DTXSID80281057BDBM50316630NSC-19939Tri-(3-methoxy-4-hydroxy-phenyl)-methan4,4',4'-Methanetriyltris(2-Methoxyphenol)4,4'',4''''-methanetriyltris(2-methoxyphenol)
Database identifiers
- CAS
4503-82-6- PubChem CID
- 227828
- DTXSID
DTXSID80281057- ChEMBL
CHEMBL1096784
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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