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Molecule
1-(4-Chlorophenyl)-1-Phenylethanol
CAS: 59767-24-7 · C14H13ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 59767-24-7
- Molecular Formula
- C14H13ClO
- Molecular Mass
- 232.71 g/mol
Identifiers
CAS Registry Number
59767-24-7
SMILES
CC(O)(c1ccccc1)c1ccc(Cl)cc1
InChI Key
MHJLXHJZQCHSIT-UHFFFAOYSA-N
InChI
InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
Names and Synonyms
- 1-(4-Chlorophenyl)-1-Phenylethanol Synonym
- Benzenemethanol, 4-chloro-α-methyl-α-phenyl- Synonym
- Benzhydrol, 4-chloro-α-methyl- Synonym
- 4-Chloro-α-methyl-α-phenylbenzenemethanol Synonym
- p-Chloro-α-methylbenzhydrol Synonym
- 1-(p-Chlorophenyl)-1-phenylethanol Synonym
- (p-Chlorophenyl)methylphenylcarbinol Synonym
- EGIS 5927 Synonym
- 1-(4-Chlorophenyl)-1-phenylethanol Synonym
- 4-Chloro(α-methyl-α-phenyl)benzenemethanol Synonym
- 1-(4-Chlorophenyl)-1-phenylethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.71 g/mol | CAS Common Chemistry |
| 232.70999999999998 g/mol | RDKit | |
| 232.707 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C(C=C1)C(O)(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MHJLXHJZQCHSIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(4-Chlorophenyl)-1-phenylethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 3.5958000000000023 | RDKit |
| 3.5958 | RDKit | |
| 3.35 | chempirical lib | |
| Molar Refractivity | 66.56680000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 232.065492716 g/mol | RDKit |
| Boiling Point | 140 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 232.71 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H13ClO.
