(1,1'-Biphenyl)-3,3'-dimethanol, 6,6'-dihydroxy-5,5'-dimethoxy-
Basic information
- CAS
3626-48-0- Standard SMILES
COc1cc(CO)cc(-c2cc(CO)cc(OC)c2O)c1O- InChIKey
CXVCUWXYWXMTCF-UHFFFAOYSA-N- Molecular formula
- C16H18O6
- Average molar mass
- 306.31 g/mol
- Monoisotopic mass
- 306.11033829
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-3,3'-dimethanol, 6,6'-dihydroxy-5,5'-dimethoxy-
- IUPAC
- 2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]-4-(hydroxymethyl)-6-methoxyphenol
- English name
- 6,6'-dihydroxy-5,5'-dimethoxy-(1,1'-biphenyl)-3,3'-dimethanol
- Molecular formula
- C16H18O6
- Molecular weight
- 306.31
Names & synonyms
3626-48-0(1,1'-Biphenyl)-3,3'-dimethanol, 6,6'-dihydroxy-5,5'-dimethoxy-5,5'-bis(hydroxymethyl)-3,3'-dimethoxy-2,2'-biphenyldiol2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]-4-(hydroxymethyl)-6-methoxyphenolSCHEMBL8040678DTXSID901897976,6'-Dihydroxy-5,5'-dimethoxy-(1,1'-biphenyl)-3,3'-dimethanolSTL5644105,5'-BIS(HYDROXYMETHYL)-3,3'-DIMETHOXY-[1,1'-BIPHENYL]-2,2'-DIOLAKOS0304913105,5'-bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol5,5'-Bis(hydroxymethyl)-3,3'-dimethoxy[1,1'-biphenyl]-2,2'-diol
Show more names
[1,1'-Biphenyl]-3,3'-dimethanol, 6,6'-dihydroxy-5,5'-dimethoxy-
Database identifiers
- CAS
3626-48-0- PubChem CID
- 145703
- DTXSID
DTXSID90189797- Nikkaji
- J1.106.519H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 187 · 187-190 °C
- Boiling point
- 503.4 · 503.4±45.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 8.69 · 8.69±0.48(Predicted)
- LogP
- -0.95 · -0.950 (est)
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Compound notes
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