1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene

C301H422F12O4 — CID 160964790

IUPAC1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene
SMILESC=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(CC)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(CC)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.CCCC1CCC(c2ccc(OCC)c(F)c2F)CC1.CCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.CCCCCC1CCC(C2CCC(C)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(CC)cc3)CC2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F.CCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F.CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1.CCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H26F2O.C25H26F2.C25H40.C24H24F2.C24H32.C23H34F2O.C23H36.C23H30.C22H32F2O.C18H34.C18H22.C17H24F2O.C17H32.C17H30/c1-3-5-17-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(6-4-2)8-10-19;1-3-5-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19;1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22;1-3-5-17-7-11-19(12-8-17)21-15-16-22(24(26)23(21)25)20-13-9-18(6-4-2)10-14-20;1-3-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(4-2)8-12-21;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;2*1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23;2*1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18;2*1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h7-16H,3-6,17H2,1-2H3;8-17H,3-7H2,1-2H3;8-9,12-13,21,23-25H,3-7,10-11,14-19H2,1-2H3;7-16H,3-6H2,1-2H3;7-8,11-12,15-18,20,22H,3-6,9-10,13-14H2,1-2H3;14-19H,3-13H2,1-2H3;6-7,10-11,19,21-23H,3-5,8-9,12-17H2,1-2H3;6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3;13-18H,3-12H2,1-2H3;15-18H,3-14H2,1-2H3;7-14H,3-6H2,1-2H3;10-13H,3-9H2,1-2H3;14-17H,3-13H2,1-2H3;4,14-17H,2-3,5-13H2,1H3
InChIKeySXMAEFRPHWXGAR-UHFFFAOYSA-N
MW4332.66 g/mol
LogP94.16
Rot. Bonds78

About 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene

1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene (PubChem CID 160964790) has the molecular formula C301H422F12O4 and a molecular weight of 4332.66 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene
PubChem CID160964790
Molecular FormulaC301H422F12O4
Molecular Weight4332.66 g/mol
Exact Mass4329.26
IUPAC Name1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene
SMILESC=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(CC)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(CC)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.CCCC1CCC(c2ccc(OCC)c(F)c2F)CC1.CCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.CCCCCC1CCC(C2CCC(C)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(CC)cc3)CC2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F.CCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F.CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1.CCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H26F2O.C25H26F2.C25H40.C24H24F2.C24H32.C23H34F2O.C23H36.C23H30.C22H32F2O.C18H34.C18H22.C17H24F2O.C17H32.C17H30/c1-3-5-17-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(6-4-2)8-10-19;1-3-5-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19;1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22;1-3-5-17-7-11-19(12-8-17)21-15-16-22(24(26)23(21)25)20-13-9-18(6-4-2)10-14-20;1-3-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(4-2)8-12-21;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;2*1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23;2*1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18;2*1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h7-16H,3-6,17H2,1-2H3;8-17H,3-7H2,1-2H3;8-9,12-13,21,23-25H,3-7,10-11,14-19H2,1-2H3;7-16H,3-6H2,1-2H3;7-8,11-12,15-18,20,22H,3-6,9-10,13-14H2,1-2H3;14-19H,3-13H2,1-2H3;6-7,10-11,19,21-23H,3-5,8-9,12-17H2,1-2H3;6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3;13-18H,3-12H2,1-2H3;15-18H,3-14H2,1-2H3;7-14H,3-6H2,1-2H3;10-13H,3-9H2,1-2H3;14-17H,3-13H2,1-2H3;4,14-17H,2-3,5-13H2,1H3
InChIKeySXMAEFRPHWXGAR-UHFFFAOYSA-N
XLogP94.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds78
Heavy Atoms317
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004332.66
LogP ≤ 594.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene (CID 160964790) is 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene is C=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(CC)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(CC)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.CCCC1CCC(c2ccc(OCC)c(F)c2F)CC1.CCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.CCCCCC1CCC(C2CCC(C)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(CC)cc3)CC2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F.CCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F.CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1.CCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene?
The InChIKey is SXMAEFRPHWXGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2O.C25H26F2.C25H40.C24H24F2.C24H32.C23H34F2O.C23H36.C23H30.C22H32F2O.C18H34.C18H22.C17H24F2O.C17H32.C17H30/c1-3-5-17-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(6-4-2)8-10-19;1-3-5-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19;1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22;1-3-5-17-7-11-19(12-8-17)21-15-16-22(24(26)23(21)25)20-13-9-18(6-4-2)10-14-20;1-3-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(4-2)8-12-21;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;2*1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23;2*1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18;2*1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h7-16H,3-6,17H2,1-2H3;8-17H,3-7H2,1-2H3;8-9,12-13,21,23-25H,3-7,10-11,14-19H2,1-2H3;7-16H,3-6H2,1-2H3;7-8,11-12,15-18,20,22H,3-6,9-10,13-14H2,1-2H3;14-19H,3-13H2,1-2H3;6-7,10-11,19,21-23H,3-5,8-9,12-17H2,1-2H3;6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3;13-18H,3-12H2,1-2H3;15-18H,3-14H2,1-2H3;7-14H,3-6H2,1-2H3;10-13H,3-9H2,1-2H3;14-17H,3-13H2,1-2H3;4,14-17H,2-3,5-13H2,1H3.
What are the key properties of 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene?
1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene has a molecular weight of 4332.66 g/mol, XLogP of 94.16, 78 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;1-(4-butylcyclohexyl)-4-(4-ethylphenyl)benzene;1-butyl-2,3-difluoro-4-[4-(4-propylphenyl)phenyl]benzene;2,3-difluoro-1,4-bis(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 160964790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).