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Molecule
1,1-Bis(4-Chlorophenyl)Ethanol
CAS: 80-06-8 · C14H12Cl2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 80-06-8
- Molecular Formula
- C14H12Cl2O
- Molecular Mass
- 267.16 g/mol
Identifiers
CAS Registry Number
80-06-8
SMILES
CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI Key
URYAFVKLYSEINW-UHFFFAOYSA-N
InChI
InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3
Names and Synonyms
- 1,1-Bis(4-Chlorophenyl)Ethanol Systematic Name
- Benzenemethanol, 4-chloro-α-(4-chlorophenyl)-α-methyl- Synonym
- Benzhydrol, 4,4′-dichloro-α-methyl- Synonym
- 4-Chloro-α-(4-chlorophenyl)-α-methylbenzenemethanol Synonym
- ENT 9624 Synonym
- Bis(p-chlorophenyl)methyl carbinol Synonym
- DCPC Synonym
- 4,4′-Dichloro-α-methylbenzhydrol Synonym
- Di(p-chlorophenyl)ethanol Synonym
- Dimite Synonym
- DMC Synonym
- Bis(4-chlorophenyl)methyl carbinol Synonym
- Micasin Synonym
- 1,1-Bis(4-chlorophenyl)ethanol Synonym
- Quickron Synonym
- BPE Synonym
- Mikazene Synonym
- Chlorfenethol Synonym
- Dimit Synonym
- BCPE (pesticide) Synonym
- BCPE Synonym
- Qikron Synonym
- 1,1-Di(4-chlorophenyl)ethanol Synonym
- NSC 2848 Synonym
- 1,1-Bis(4-chlorophenyl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.16 g/mol | CAS Common Chemistry |
| 267.155 g/mol | RDKit | |
| 267.149 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C(C=C1)C(O)(C2=CC=C(Cl)C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=URYAFVKLYSEINW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | 1,1-Bis(4-chlorophenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | 4.249200000000002 | RDKit |
| 4.2492 | RDKit | |
| 3.92 | chempirical lib | |
| Molar Refractivity | 71.57680000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 266.026520364 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 267.16 g/mol. Edit any field — others recompute live.
