(Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one

C147H145Cl2F7O31 — CID 158944911

About (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one

(Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one (PubChem CID 158944911) has the molecular formula C147H145Cl2F7O31 and a molecular weight of 2611.64 g/mol. Its IUPAC name is (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one.

Molecular Properties

• Compound Name: (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one
• PubChem CID: 158944911
• Molecular Formula: C147H145Cl2F7O31
• Molecular Weight: 2611.64 g/mol
• Exact Mass: 2608.90
• IUPAC Name: (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one
• SMILES: COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2ccc(Cl)cc2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2cccc(Cl)c2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2cccc(F)c2)cc1OC
• InChI: InChI=1S/C30H29F3O7.C30H29F3O6.2C29H29ClO6.C29H29FO6/c1-35-25-17-21(7-6-8-24(34)20-11-13-23(14-12-20)40-30(31,32)33)22(18-26(25)36-2)10-9-19-15-27(37-3)29(39-5)28(16-19)38-4;1-35-25-17-21(7-6-8-24(34)20-11-13-23(14-12-20)30(31,32)33)22(18-26(25)36-2)10-9-19-15-27(37-3)29(39-5)28(16-19)38-4;1-32-25-17-20(8-7-11-24(31)22-9-6-10-23(30)16-22)21(18-26(25)33-2)13-12-19-14-27(34-3)29(36-5)28(15-19)35-4;1-32-25-17-21(7-6-8-24(31)20-11-13-23(30)14-12-20)22(18-26(25)33-2)10-9-19-15-27(34-3)29(36-5)28(16-19)35-4;1-32-25-17-20(8-7-11-24(31)22-9-6-10-23(30)16-22)21(18-26(25)33-2)13-12-19-14-27(34-3)29(36-5)28(15-19)35-4/h6,8-18H,7H2,1-5H3;6,8-18H,7H2,1-5H3;6-7,9-18H,8H2,1-5H3;6,8-18H,7H2,1-5H3;6-7,9-18H,8H2,1-5H3/b2*8-6-,10-9-;11-7-,13-12-;8-6-,10-9-;11-7-,13-12-
• InChIKey: JKRXIQSXUFAQOJ-MEISUXJYSA-N
• XLogP: 32.77
• TPSA: 325.33 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 56
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2611.64
LogP ≤ 5	32.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one?

The IUPAC name of (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one (CID 158944911) is (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one.

What is the SMILES notation for (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one?

The canonical SMILES for (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one is COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2ccc(Cl)cc2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2cccc(Cl)c2)cc1OC.COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(C/C=C\C(=O)c2cccc(F)c2)cc1OC.

What is the InChIKey of (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one?

The InChIKey is JKRXIQSXUFAQOJ-MEISUXJYSA-N. The full InChI is InChI=1S/C30H29F3O7.C30H29F3O6.2C29H29ClO6.C29H29FO6/c1-35-25-17-21(7-6-8-24(34)20-11-13-23(14-12-20)40-30(31,32)33)22(18-26(25)36-2)10-9-19-15-27(37-3)29(39-5)28(16-19)38-4;1-35-25-17-21(7-6-8-24(34)20-11-13-23(14-12-20)30(31,32)33)22(18-26(25)36-2)10-9-19-15-27(37-3)29(39-5)28(16-19)38-4;1-32-25-17-20(8-7-11-24(31)22-9-6-10-23(30)16-22)21(18-26(25)33-2)13-12-19-14-27(34-3)29(36-5)28(15-19)35-4;1-32-25-17-21(7-6-8-24(31)20-11-13-23(30)14-12-20)22(18-26(25)33-2)10-9-19-15-27(34-3)29(36-5)28(16-19)35-4;1-32-25-17-20(8-7-11-24(31)22-9-6-10-23(30)16-22)21(18-26(25)33-2)13-12-19-14-27(34-3)29(36-5)28(15-19)35-4/h6,8-18H,7H2,1-5H3;6,8-18H,7H2,1-5H3;6-7,9-18H,8H2,1-5H3;6,8-18H,7H2,1-5H3;6-7,9-18H,8H2,1-5H3/b2*8-6-,10-9-;11-7-,13-12-;8-6-,10-9-;11-7-,13-12-.

What are the key properties of (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one?

(Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one has a molecular weight of 2611.64 g/mol, XLogP of 32.77, 56 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one is sourced from PubChem (CID 158944911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).