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Molecule
4-Fluoro-Α-Phenylbenzenemethanol
CAS: 365-22-0 · C13H11FO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 365-22-0
- Molecular Formula
- C13H11FO
- Molecular Mass
- 202.23 g/mol
Identifiers
CAS Registry Number
365-22-0
SMILES
OC(c1ccccc1)c1ccc(F)cc1
InChI Key
MZQRXCOFRPWTPC-UHFFFAOYSA-N
InChI
InChI=1S/C13H11FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H
Names and Synonyms
- 4-Fluoro-Α-Phenylbenzenemethanol Systematic Name
- Benzenemethanol, 4-fluoro-α-phenyl- Synonym
- Benzhydrol, 4-fluoro- Synonym
- 4-Fluoro-α-phenylbenzenemethanol Synonym
- 4-Fluorobenzhydrol Synonym
- (4-Fluorophenyl)phenylmethanol Synonym
- (p-Fluorophenyl)phenylcarbinol Synonym
- (±)-(4-Fluorophenyl)phenylmethanol Synonym
- (±)-1-(p-Fluorophenyl)-1-phenylmethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.23 g/mol | CAS Common Chemistry |
| 202.22799999999998 g/mol | RDKit | |
| 202.228 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=C1)C(O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H | CAS Common Chemistry |
| InChI Key | InChIKey=MZQRXCOFRPWTPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48 °C | CAS Common Chemistry |
| Name | 4-Fluoro-α-phenylbenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.907400000000001 | RDKit |
| 2.9074 | RDKit | |
| 2.68 | chempirical lib | |
| Molar Refractivity | 56.903800000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 202.079393192 g/mol | RDKit |
| Boiling Point | 167-168 °C @ 10-11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 202.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11FO.
