Basic information
- CAS
15640-40-1- Standard SMILES
COc1cc(Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O- InChIKey
NDYPCLQAPPEYLS-UHFFFAOYSA-N- Molecular formula
- C17H20O6
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.12598835
Names & identifiers
- Preferred name
- 4,4'-Dihydroxy-3,5,3',5'-tetramethoxydiphenylmethane
- IUPAC
- 4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
- English name
- 4,4'-Methylenebis(2,6-dimethoxyphenol)
- Molecular formula
- C17H20O6
- Molecular weight
- 320.34
Names & synonyms
4,4'-Dihydroxy-3,5,3',5'-tetramethoxydiphenylmethane15640-40-1MLS0031064354-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2,6-dimethoxyphenolNSC156573SCHEMBL7702888SCHEMBL7702890CHEMBL1978946DTXSID70935436NDYPCLQAPPEYLS-UHFFFAOYSA-NNSC-1565734,5,3',5'-tetramethoxydiphenylmethane
Show more names
Phenol,4'-methylenebis[2,6-dimethoxy-4,4'-Methylenebis(2,6-dimethoxyphenol)SMR001821338bis(4-hydroxy-3,5-dimethoxyphenyl)methanePhenol, 4,4'-methylenebis*2,6-dimethoxy-Phenol, 4,4'-methylenebis[2,6-dimethoxy-
Database identifiers
- CAS
15640-40-1- PubChem CID
- 291372
- DTXSID
DTXSID70935436- ChEMBL
CHEMBL1978946- Nikkaji
- J111.553G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 113 °C · 113 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 491.8 · 491.8±40.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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