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Molecule
Cyclofenil
CAS: 2624-43-3 · C23H24O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2624-43-3
- Molecular Formula
- C23H24O4
- Molecular Mass
- 364.44 g/mol
Identifiers
CAS Registry Number
2624-43-3
SMILES
CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1
InChI Key
GVOUFPWUYJWQSK-UHFFFAOYSA-N
InChI
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
Names and Synonyms
- Cyclofenil Synonym
- Phenol, 4,4′-(cyclohexylidenemethylene)bis-, 1,1′-diacetate Synonym
- p-Cresol, α-cyclohexylidene-α-(p-hydroxyphenyl)-, diacetate Synonym
- Phenol, 4-[[4-(acetyloxy)phenyl]cyclohexylidenemethyl]-, acetate Synonym
- Phenol, 4,4′-(cyclohexylidenemethylene)bis-, diacetate Synonym
- 4,4′-(Cyclohexylidenemethylene)diphenol diacetate ester Synonym
- Bis(p-acetoxyphenyl)cyclohexylidenemethane Synonym
- F 6066 Synonym
- Cyclofenyl Synonym
- Cyclopenil Synonym
- Sexovid Synonym
- Cyclofenil Synonym
- Bis(p-hydroxyphenyl)cyclohexyldienemethane diacetate Synonym
- α-Cyclohexylidene-α-(p-hydroxyphenyl)-p-cresol diacetate Synonym
- Cyclophenyl Synonym
- α-(p-Hydroxyphenyl)-α-cyclohexylidene-p-cresol diacetate Synonym
- Sanocrisin Synonym
- Ondogyne Synonym
- H 3452 Synonym
- Ondonid Synonym
- Fertodur Synonym
- ICI 48213 Synonym
- Oginex Synonym
- Sexadieno Synonym
- Sexovar Synonym
- Cyclophenil Synonym
- Neoclym Synonym
- Rehibin Synonym
- NSC 86464 Synonym
- (Cyclohexylidenemethylene)bis(4,1-phenylene) diacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.44 g/mol | CAS Common Chemistry |
| 364.44100000000003 g/mol | RDKit | |
| 364.441 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=C(C=C1)C(C2=CC=C(OC(=O)C)C=C2)=C3CCCCC3)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GVOUFPWUYJWQSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135.5 °C | CAS Common Chemistry |
| Name | Cyclofenil | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 5.303200000000005 | RDKit |
| 5.3032 | RDKit | |
| Molar Refractivity | 104.60900000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3043 | RDKit |
| 0.3 | chempirical lib | |
| Exact Mass | 364.16745924799994 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 = 364.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C23H24O4.
