4,4'-Dihydroxy-3-methoxybiphenyl
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Basic information
- CAS
60453-06-7- Standard SMILES
COc1cc(-c2ccc(O)cc2)ccc1O- InChIKey
GFZSVGYALZXYGC-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- 4,4'-Dihydroxy-3-methoxybiphenyl
- IUPAC
- 4-(4-hydroxyphenyl)-2-methoxyphenol
- English name
- 3-Methoxy-[1,1'-Biphenyl]-4,4'-diol
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
60453-06-74,4'-Dihydroxy-3-methoxybiphenylUNII-BI3HN3EY8NBI3HN3EY8N3-Methoxy-4,4'-dihydroxybiphenyl(1,1'-Biphenyl)-4,4'-diol, 3-methoxy-DTXSID60209198RefChem:96252DTXCID801316894-(4-hydroxyphenyl)-2-methoxyphenol4-(4-hydroxyphenyl)-2-methoxy-phenolMFCD18314967
Show more names
3-Methoxy-[1,1'-Biphenyl]-4,4'-diol[1,1'-Biphenyl]-4,4'-diol, 3-methoxy-
SCHEMBL9538855SCHEMBL96229523-Methoxy[1,1'-biphenyl]-4,4'-diol4-(4-Hydroxyphenyl)-2-methoxyphenol, 95%Q27274671
Database identifiers
- CAS
60453-06-7- PubChem CID
- 187976
- DTXSID
DTXSID60209198- UNII
- BI3HN3EY8N
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 370.1 · 370.1±27.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 9.57 · 9.57±0.30(Predicted)
- FDA UNII
- 3 HN3EY8N · BI3HN3EY8N
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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