1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene

C182H232F8O7 — CID 161494725

IUPAC1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene
SMILESC.C=CC1CCC(C2CCC(C3OC3CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.C=CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1.CCCC1CCC(c2ccc(C(OO)c3ccc(C4CCC(C)CC4)cc3)c(F)c2)CC1.CCCc1ccc(-c2cc(F)c(C(=O)Oc3cc(F)c(C)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(C(=O)Oc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C29H39FO2.C25H25F.C23H18F4O2.C23H20F2O2.C23H34.C22H30.C19H32O.C17H30.CH4/c1-3-4-21-7-11-24(12-8-21)26-17-18-27(28(30)19-26)29(32-31)25-15-13-23(14-16-25)22-9-5-20(2)6-10-22;1-3-5-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(6-4-2)9-13-21;1-3-4-14-5-7-15(8-6-14)16-9-20(26)22(21(27)10-16)23(28)29-17-11-18(24)13(2)19(25)12-17;1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)23(26)27-20-13-21(24)15(2)22(25)14-20;1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20;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;1-3-5-18-19(20-18)17-12-10-16(11-13-17)15-8-6-14(4-2)7-9-15;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;/h13-22,24,29,31H,3-12H2,1-2H3;3,8-18H,1,4-7H2,2H3;5-12H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3;3-4,7-8,18,20-22H,5-6,11-16H2,1-2H3;4,14-19H,2-3,5-13H2,1H3;4,14-17H,2-3,5-13H2,1H3;1H4
InChIKeyWGAXGCOROWNXMX-UHFFFAOYSA-N
MW2683.83 g/mol
LogP53.10
Rot. Bonds39

About 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene

1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene (PubChem CID 161494725) has the molecular formula C182H232F8O7 and a molecular weight of 2683.83 g/mol. Its IUPAC name is 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene.

Molecular Properties

Compound Name1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene
PubChem CID161494725
Molecular FormulaC182H232F8O7
Molecular Weight2683.83 g/mol
Exact Mass2681.77
IUPAC Name1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene
SMILESC.C=CC1CCC(C2CCC(C3OC3CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.C=CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1.CCCC1CCC(c2ccc(C(OO)c3ccc(C4CCC(C)CC4)cc3)c(F)c2)CC1.CCCc1ccc(-c2cc(F)c(C(=O)Oc3cc(F)c(C)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(C(=O)Oc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C29H39FO2.C25H25F.C23H18F4O2.C23H20F2O2.C23H34.C22H30.C19H32O.C17H30.CH4/c1-3-4-21-7-11-24(12-8-21)26-17-18-27(28(30)19-26)29(32-31)25-15-13-23(14-16-25)22-9-5-20(2)6-10-22;1-3-5-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(6-4-2)9-13-21;1-3-4-14-5-7-15(8-6-14)16-9-20(26)22(21(27)10-16)23(28)29-17-11-18(24)13(2)19(25)12-17;1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)23(26)27-20-13-21(24)15(2)22(25)14-20;1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20;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;1-3-5-18-19(20-18)17-12-10-16(11-13-17)15-8-6-14(4-2)7-9-15;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;/h13-22,24,29,31H,3-12H2,1-2H3;3,8-18H,1,4-7H2,2H3;5-12H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3;3-4,7-8,18,20-22H,5-6,11-16H2,1-2H3;4,14-19H,2-3,5-13H2,1H3;4,14-17H,2-3,5-13H2,1H3;1H4
InChIKeyWGAXGCOROWNXMX-UHFFFAOYSA-N
XLogP53.10
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds39
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002683.83
LogP ≤ 553.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene?
The IUPAC name of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene (CID 161494725) is 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene.
What is the SMILES notation for 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene?
The canonical SMILES for 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene is C.C=CC1CCC(C2CCC(C3OC3CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.C=CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1.CCCC1CCC(c2ccc(C(OO)c3ccc(C4CCC(C)CC4)cc3)c(F)c2)CC1.CCCc1ccc(-c2cc(F)c(C(=O)Oc3cc(F)c(C)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(C(=O)Oc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene?
The InChIKey is WGAXGCOROWNXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FO2.C25H25F.C23H18F4O2.C23H20F2O2.C23H34.C22H30.C19H32O.C17H30.CH4/c1-3-4-21-7-11-24(12-8-21)26-17-18-27(28(30)19-26)29(32-31)25-15-13-23(14-16-25)22-9-5-20(2)6-10-22;1-3-5-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(6-4-2)9-13-21;1-3-4-14-5-7-15(8-6-14)16-9-20(26)22(21(27)10-16)23(28)29-17-11-18(24)13(2)19(25)12-17;1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)23(26)27-20-13-21(24)15(2)22(25)14-20;1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20;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;1-3-5-18-19(20-18)17-12-10-16(11-13-17)15-8-6-14(4-2)7-9-15;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;/h13-22,24,29,31H,3-12H2,1-2H3;3,8-18H,1,4-7H2,2H3;5-12H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3;3-4,7-8,18,20-22H,5-6,11-16H2,1-2H3;4,14-19H,2-3,5-13H2,1H3;4,14-17H,2-3,5-13H2,1H3;1H4.
What are the key properties of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene?
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene has a molecular weight of 2683.83 g/mol, XLogP of 53.10, 39 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-propylphenyl)benzoate;(3,5-difluoro-4-methylphenyl) 4-(4-propylphenyl)benzoate;2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-propyloxirane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-1-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]-4-(4-propylcyclohexyl)benzene;methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]benzene is sourced from PubChem (CID 161494725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).