1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate

C181H228F2O26 — CID 159921400

About 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate

1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate (PubChem CID 159921400) has the molecular formula C181H228F2O26 and a molecular weight of 2857.78 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate.

Molecular Properties

• Compound Name: 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate
• PubChem CID: 159921400
• Molecular Formula: C181H228F2O26
• Molecular Weight: 2857.78 g/mol
• Exact Mass: 2855.65
• IUPAC Name: 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate
• SMILES: C=CC(=O)OC(C)CC(C)Oc1ccc(C(=O)Oc2ccc(C3CCC(C)CC3)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(C(=O)OC(C)C)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(C)CC)cc2)cc1.CC(C)C=CC1CCC(c2ccc(-c3cc(F)c(OC(C)C)c(F)c3)cc2)CC1.CCCC1CCC(C2CCC(c3ccc(OC(C)CC(C)OC)cc3)CC2)CC1.CCCC1CCC(c2ccc(OC(C)CC(C)OC)cc2)CC1.CCCCCc1ccc(OC(=O)c2ccc(OC(C)C)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C(=O)OC(C)C)cc2)cc1
• InChI: InChI=1S/C28H34O5.C27H44O2.C26H32F2O.C21H22O4.C21H26O3.C21H34O2.C19H18O4.C18H18O5/c1-5-27(29)32-21(4)18-20(3)31-25-16-12-24(13-17-25)28(30)33-26-14-10-23(11-15-26)22-8-6-19(2)7-9-22;1-5-6-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-17-27(18-16-26)29-21(3)19-20(2)28-4;1-17(2)5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-24(27)26(25(28)16-23)29-18(3)4;1-4-15(3)14-24-21(23)18-8-6-16(7-9-18)17-10-12-19(13-11-17)25-20(22)5-2;1-4-5-6-7-17-8-12-20(13-9-17)24-21(22)18-10-14-19(15-11-18)23-16(2)3;1-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)23-17(3)15-16(2)22-4;1-4-18(20)23-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19(21)22-13(2)3;1-12(2)22-17(19)13-6-10-16(11-7-13)23-18(20)14-4-8-15(21-3)9-5-14/h5,10-17,19-22H,1,6-9,18H2,2-4H3;15-18,20-25H,5-14,19H2,1-4H3;5-6,11-20H,7-10H2,1-4H3;5-13,15H,2,4,14H2,1,3H3;8-16H,4-7H2,1-3H3;11-14,16-19H,5-10,15H2,1-4H3;4-13H,1H2,2-3H3;4-12H,1-3H3
• InChIKey: NYLCZBLSKLKZES-UHFFFAOYSA-N
• XLogP: 45.65
• TPSA: 310.54 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 57
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2857.78
LogP ≤ 5	45.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate?

The IUPAC name of 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate (CID 159921400) is 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate.

What is the SMILES notation for 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate?

The canonical SMILES for 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate is C=CC(=O)OC(C)CC(C)Oc1ccc(C(=O)Oc2ccc(C3CCC(C)CC3)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(C(=O)OC(C)C)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(C)CC)cc2)cc1.CC(C)C=CC1CCC(c2ccc(-c3cc(F)c(OC(C)C)c(F)c3)cc2)CC1.CCCC1CCC(C2CCC(c3ccc(OC(C)CC(C)OC)cc3)CC2)CC1.CCCC1CCC(c2ccc(OC(C)CC(C)OC)cc2)CC1.CCCCCc1ccc(OC(=O)c2ccc(OC(C)C)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C(=O)OC(C)C)cc2)cc1.

What is the InChIKey of 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate?

The InChIKey is NYLCZBLSKLKZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O5.C27H44O2.C26H32F2O.C21H22O4.C21H26O3.C21H34O2.C19H18O4.C18H18O5/c1-5-27(29)32-21(4)18-20(3)31-25-16-12-24(13-17-25)28(30)33-26-14-10-23(11-15-26)22-8-6-19(2)7-9-22;1-5-6-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-17-27(18-16-26)29-21(3)19-20(2)28-4;1-17(2)5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-24(27)26(25(28)16-23)29-18(3)4;1-4-15(3)14-24-21(23)18-8-6-16(7-9-18)17-10-12-19(13-11-17)25-20(22)5-2;1-4-5-6-7-17-8-12-20(13-9-17)24-21(22)18-10-14-19(15-11-18)23-16(2)3;1-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)23-17(3)15-16(2)22-4;1-4-18(20)23-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19(21)22-13(2)3;1-12(2)22-17(19)13-6-10-16(11-7-13)23-18(20)14-4-8-15(21-3)9-5-14/h5,10-17,19-22H,1,6-9,18H2,2-4H3;15-18,20-25H,5-14,19H2,1-4H3;5-6,11-20H,7-10H2,1-4H3;5-13,15H,2,4,14H2,1,3H3;8-16H,4-7H2,1-3H3;11-14,16-19H,5-10,15H2,1-4H3;4-13H,1H2,2-3H3;4-12H,1-3H3.

What are the key properties of 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate?

1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate has a molecular weight of 2857.78 g/mol, XLogP of 45.65, 57 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-[4-[4-(3-methylbut-1-enyl)cyclohexyl]phenyl]-2-propan-2-yloxybenzene;1-(4-methoxypentan-2-yloxy)-4-(4-propylcyclohexyl)benzene;1-(4-methoxypentan-2-yloxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-methylbutyl 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(4-methylcyclohexyl)phenyl] 4-(4-prop-2-enoyloxypentan-2-yloxy)benzoate;(4-pentylphenyl) 4-propan-2-yloxybenzoate;(4-propan-2-yloxycarbonylphenyl) 4-methoxybenzoate;propan-2-yl 4-(4-prop-2-enoyloxyphenyl)benzoate is sourced from PubChem (CID 159921400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).