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Molecule
[1,1′-Biphenyl]-4-Ol, 4-Acetate
CAS: 148-86-7 · C14H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 148-86-7
- Molecular Formula
- C14H12O2
- Molecular Mass
- 212.25 g/mol
Identifiers
CAS Registry Number
148-86-7
SMILES
CC(=O)Oc1ccc(-c2ccccc2)cc1
InChI Key
MISFQCBPASYYGV-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
Names and Synonyms
- [1,1′-Biphenyl]-4-Ol, 4-Acetate Synonym
- [1,1′-Biphenyl]-4-ol, 4-acetate Synonym
- 4-Biphenylol, acetate Synonym
- [1,1′-Biphenyl]-4-ol, acetate Synonym
- Phenol, p-phenyl-, acetate Synonym
- p-Phenylphenyl acetate Synonym
- 4-Acetoxybiphenyl Synonym
- 4-Biphenylyl acetate Synonym
- p-Biphenol acetate Synonym
- [1,1′-Biphenyl]-4-yl acetate Synonym
- p-Phenylphenol acetate Synonym
- NSC 404087 Synonym
- 4-Acetoxy-1,1′-biphenyl Synonym
- (4-Phenylphenyl) acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.24800000000002 g/mol | RDKit | |
| 212.248 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C=CC(=CC1)C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O2/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MISFQCBPASYYGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89 °C | CAS Common Chemistry |
| Name | [1,1′-Biphenyl]-4-ol, 4-acetate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.278900000000002 | RDKit |
| 3.2789 | RDKit | |
| Molar Refractivity | 63.18700000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 212.083729624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 212.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12O2.
