8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

C176H220ClF13O3 — CID 158569072

About 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 158569072) has the molecular formula C176H220ClF13O3 and a molecular weight of 2666.12 g/mol. Its IUPAC name is 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

• Compound Name: 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
• PubChem CID: 158569072
• Molecular Formula: C176H220ClF13O3
• Molecular Weight: 2666.12 g/mol
• Exact Mass: 2663.65
• IUPAC Name: 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
• SMILES: C=CCC1COC2c3ccc(Cl)cc3CCC2C1.CCC1COC2c3cc(F)c(-c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)cc3CCC12.CCCC1CCC(C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1.CCCC1COC2c3ccc(-c4cc(F)c(F)c(F)c4)cc3CCC2C1.CCCCCC1CCC(CCc2ccc(-c3ccc(CC)cc3F)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1
• InChI: InChI=1S/C32H46.C30H41F.C27H37F.C26H21F5O.C23H33F3.C22H23F3O.C16H19ClO/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27;1-3-5-22-7-11-24(12-8-22)25-15-17-27(18-16-25)29-20-19-28(21-30(29)31)26-13-9-23(6-4-2)10-14-26;1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-14-17-25(18-15-24)26-19-16-21(4-2)20-27(26)28;1-2-13-12-32-26-18(13)6-4-14-7-19(22(28)11-20(14)26)15-3-5-17(21(27)8-15)16-9-23(29)25(31)24(30)10-16;1-2-3-16-6-10-19(11-7-16)20-12-8-17(9-13-20)4-5-18-14-21(24)23(26)22(25)15-18;1-2-3-13-8-16-5-4-15-9-14(6-7-18(15)22(16)26-12-13)17-10-19(23)21(25)20(24)11-17;1-2-3-11-8-13-5-4-12-9-14(17)6-7-15(12)16(13)18-10-11/h17-28H,3-16H2,1-2H3;15-24,26H,3-14H2,1-2H3;14-20,22-23H,3-13H2,1-2H3;3,5,7-11,13,18,26H,2,4,6,12H2,1H3;14-17,19-20H,2-13H2,1H3;6-7,9-11,13,16,22H,2-5,8,12H2,1H3;2,6-7,9,11,13,16H,1,3-5,8,10H2
• InChIKey: HRVXPBONEJDGQA-UHFFFAOYSA-N
• XLogP: 53.89
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 39
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2666.12
LogP ≤ 5	53.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?

The IUPAC name of 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (CID 158569072) is 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.

What is the SMILES notation for 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?

The canonical SMILES for 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is C=CCC1COC2c3ccc(Cl)cc3CCC2C1.CCC1COC2c3cc(F)c(-c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)cc3CCC12.CCCC1CCC(C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1.CCCC1COC2c3ccc(-c4cc(F)c(F)c(F)c4)cc3CCC2C1.CCCCCC1CCC(CCc2ccc(-c3ccc(CC)cc3F)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1.

What is the InChIKey of 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?

The InChIKey is HRVXPBONEJDGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46.C30H41F.C27H37F.C26H21F5O.C23H33F3.C22H23F3O.C16H19ClO/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27;1-3-5-22-7-11-24(12-8-22)25-15-17-27(18-16-25)29-20-19-28(21-30(29)31)26-13-9-23(6-4-2)10-14-26;1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-14-17-25(18-15-24)26-19-16-21(4-2)20-27(26)28;1-2-13-12-32-26-18(13)6-4-14-7-19(22(28)11-20(14)26)15-3-5-17(21(27)8-15)16-9-23(29)25(31)24(30)10-16;1-2-3-16-6-10-19(11-7-16)20-12-8-17(9-13-20)4-5-18-14-21(24)23(26)22(25)15-18;1-2-3-13-8-16-5-4-15-9-14(6-7-18(15)22(16)26-12-13)17-10-19(23)21(25)20(24)11-17;1-2-3-11-8-13-5-4-12-9-14(17)6-7-15(12)16(13)18-10-11/h17-28H,3-16H2,1-2H3;15-24,26H,3-14H2,1-2H3;14-20,22-23H,3-13H2,1-2H3;3,5,7-11,13,18,26H,2,4,6,12H2,1H3;14-17,19-20H,2-13H2,1H3;6-7,9-11,13,16,22H,2-5,8,12H2,1H3;2,6-7,9,11,13,16H,1,3-5,8,10H2.

What are the key properties of 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?

8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 2666.12 g/mol, XLogP of 53.89, 39 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-prop-2-enyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;3-ethyl-8-fluoro-7-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-2,3,3a,4,5,9b-hexahydrobenzo[g][1]benzofuran;4-ethyl-2-fluoro-1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene;3-propyl-8-(3,4,5-trifluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene;1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 158569072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).