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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
Names and Synonyms:
Cyclofenil
Phenol, 4,4′-(cyclohexylidenemethylene)bis-, 1,1′-diacetate
p-Cresol, α-cyclohexylidene-α-(p-hydroxyphenyl)-, diacetate
Phenol, 4-[[4-(acetyloxy)phenyl]cyclohexylidenemethyl]-, acetate
Phenol, 4,4′-(cyclohexylidenemethylene)bis-, diacetate
4,4′-(Cyclohexylidenemethylene)diphenol diacetate ester
Bis(p-acetoxyphenyl)cyclohexylidenemethane
F 6066
Cyclofenyl
Cyclopenil
Sexovid
Cyclofenil
Bis(p-hydroxyphenyl)cyclohexyldienemethane diacetate
α-Cyclohexylidene-α-(p-hydroxyphenyl)-p-cresol diacetate
Cyclophenyl
α-(p-Hydroxyphenyl)-α-cyclohexylidene-p-cresol diacetate
Sanocrisin
Ondogyne
H 3452
Ondonid
Fertodur
ICI 48213
Oginex
Sexadieno
Sexovar
Cyclophenil
Neoclym
Rehibin
NSC 86464
(Cyclohexylidenemethylene)bis(4,1-phenylene) diacetate
Identifiers:
SMILES:
CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1
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
Key Properties
Melting Point
135.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.44 g/mol | CAS Common Chemistry |
| 364.44100000000003 g/mol | RDKit | |
| 364.16745924799994 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 |
| Molar Refractivity | 104.60900000000004 | RDKit |
