4-Methylcarbonyloxy-4'-hydroxybiphenyl
Basic information
- CAS
52189-89-6- Standard SMILES
CC(=O)Oc1ccc(-c2ccc(O)cc2)cc1- InChIKey
RKHPZOBFCZECPI-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
Names & identifiers
- Preferred name
- 4-Methylcarbonyloxy-4'-hydroxybiphenyl
- IUPAC
- [4-(4-hydroxyphenyl)phenyl] acetate
- English name
- [1,1'-Biphenyl]-4,4'-diol, 4-acetate
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
SCHEMBL6853303RKHPZOBFCZECPI-UHFFFAOYSA-N4-methylcarbonyloxy-4'-hydroxybiphenyl4-Acetoxy-4'-hydroxy-1,1'-biphenyl1,1'-Biphenyl]-4,4'-diol,4-acetate[1,1'-Biphenyl]-4,4'-diol, 4-acetate
Database identifiers
- CAS
52189-89-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 375.6 · 375.6±25.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.26(Predicted)
- InChI
- InChI=1S/C14H12O3/c1-10(15)17-14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-9,16H,1H3
- InChIKey
- RKHPZOBFCZECPI-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(O)C=C2)=CC=C(OC(=O)C)C=C1
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