C225H273F7O7 — CID 158288015
1-(4-but-3-enylcyclohex-2-en-1-yl)-4-[(E)-2-(4-butylphenyl)ethenyl]benzene;4-[[4-(4-ethenylcyclohex-2-en-1-yl)phenoxy]methyl]-1-ethoxy-2-fluorobenzene;1-ethoxy-2,3-difluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2-fluoro-4-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]phenyl]benzene;1-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-pentyl-1-[4-[2-(4-propylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-[(4-pentylcyclohex-2-en-1-yl)methoxy]-4-(4-propylphenyl)benzene (PubChem CID 158288015) has the molecular formula C225H273F7O7 and a molecular weight of 3222.64 g/mol. Its IUPAC name is 1-(4-but-3-enylcyclohex-2-en-1-yl)-4-[(E)-2-(4-butylphenyl)ethenyl]benzene;4-[[4-(4-ethenylcyclohex-2-en-1-yl)phenoxy]methyl]-1-ethoxy-2-fluorobenzene;1-ethoxy-2,3-difluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2-fluoro-4-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]phenyl]benzene;1-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-pentyl-1-[4-[2-(4-propylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-[(4-pentylcyclohex-2-en-1-yl)methoxy]-4-(4-propylphenyl)benzene.
| Compound Name | 1-(4-but-3-enylcyclohex-2-en-1-yl)-4-[(E)-2-(4-butylphenyl)ethenyl]benzene;4-[[4-(4-ethenylcyclohex-2-en-1-yl)phenoxy]methyl]-1-ethoxy-2-fluorobenzene;1-ethoxy-2,3-difluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2-fluoro-4-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]phenyl]benzene;1-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-pentyl-1-[4-[2-(4-propylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-[(4-pentylcyclohex-2-en-1-yl)methoxy]-4-(4-propylphenyl)benzene |
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| PubChem CID | 158288015 |
| Molecular Formula | C225H273F7O7 |
| Molecular Weight | 3222.64 g/mol |
| Exact Mass | 3220.09 |
| IUPAC Name | 1-(4-but-3-enylcyclohex-2-en-1-yl)-4-[(E)-2-(4-butylphenyl)ethenyl]benzene;4-[[4-(4-ethenylcyclohex-2-en-1-yl)phenoxy]methyl]-1-ethoxy-2-fluorobenzene;1-ethoxy-2,3-difluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohex-2-en-1-yl)phenyl]benzene;1-ethoxy-2-fluoro-4-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]phenyl]benzene;1-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-pentyl-1-[4-[2-(4-propylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]phenyl]benzene;1-[(4-pentylcyclohex-2-en-1-yl)methoxy]-4-(4-propylphenyl)benzene |
| SMILES | C=CC1C=CC(c2ccc(OCc3ccc(OCC)c(F)c3)cc2)CC1.C=CCCC1C=CC(c2ccc(/C=C/c3ccc(CCCC)cc3)cc2)CC1.CCCC1C=CC(COc2ccc(-c3ccc(OCC)c(F)c3)cc2)CC1.CCCC1C=CC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1.CCCCCC1C=CC(COc2ccc(-c3ccc(CCC)cc3)cc2)CC1.CCCCCC1C=CC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1.CCCCCc1ccc(-c2ccc(CCC3C=CC(CCC)CC3)cc2)c(F)c1.CCCc1ccc(-c2ccc(/C=C/C3C=CC(CC)CC3)cc2)cc1.Cc1ccc(-c2ccc(CCC3C=CC(C)CC3)cc2)cc1 |
| InChI | InChI=1S/C28H37F.C28H34.C27H36O.C25H30F2O.C25H30.C24H29FO2.C23H26F2O.C23H25FO2.C22H26/c1-3-5-6-8-25-17-20-27(28(29)21-25)26-18-15-24(16-19-26)14-13-23-11-9-22(7-4-2)10-12-23;1-3-5-7-23-9-11-25(12-10-23)13-14-26-17-21-28(22-18-26)27-19-15-24(16-20-27)8-6-4-2;1-3-5-6-8-23-9-11-24(12-10-23)21-28-27-19-17-26(18-20-27)25-15-13-22(7-4-2)14-16-25;1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-17-23(28-4-2)25(27)24(22)26;1-3-5-21-12-16-24(17-13-21)25-18-14-23(15-19-25)11-10-22-8-6-20(4-2)7-9-22;1-3-5-18-6-8-19(9-7-18)17-27-22-13-10-20(11-14-22)21-12-15-24(26-4-2)23(25)16-21;1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24;1-3-17-5-8-19(9-6-17)20-10-12-21(13-11-20)26-16-18-7-14-23(25-4-2)22(24)15-18;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h9,11,15-23H,3-8,10,12-14H2,1-2H3;4,9-15,17-19,21-22,24,27H,2-3,5-8,16,20H2,1H3;9,11,13-20,23-24H,3-8,10,12,21H2,1-2H3;8,10,12-19H,3-7,9,11H2,1-2H3;6,8,10-20,22H,3-5,7,9H2,1-2H3;6,8,10-16,18-19H,3-5,7,9,17H2,1-2H3;6,8,10-17H,3-5,7,9H2,1-2H3;3,5,7-8,10-15,17,19H,1,4,6,9,16H2,2H3;3,5-7,11-17,19H,4,8-10H2,1-2H3/b;14-13+;;;11-10+;;;; |
| InChIKey | GLAFBSIIAXURDA-BRDYYBKDSA-N |
| XLogP | 65.35 |
| TPSA | 64.61 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 239 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3222.64 |
| LogP ≤ 5 | 65.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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