1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

C74H80N2O8 — CID 160879068

About 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 160879068) has the molecular formula C74H80N2O8 and a molecular weight of 1125.46 g/mol. Its IUPAC name is 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

• Compound Name: 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
• PubChem CID: 160879068
• Molecular Formula: C74H80N2O8
• Molecular Weight: 1125.46 g/mol
• Exact Mass: 1124.59
• IUPAC Name: 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
• SMILES: COc1cc(C(C)(C)C)c(/C=C/C2=NCCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1.COc1cc(C(C)(C)C)c(/C=C/C2NCCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1
• InChI: InChI=1S/C37H41NO4.C37H39NO4/c2*1-37(2,3)31-23-34(40-5)36(42-25-27-14-10-7-11-15-27)21-29(31)16-17-32-30-22-33(39-4)35(20-28(30)18-19-38-32)41-24-26-12-8-6-9-13-26/h6-17,20-23,32,38H,18-19,24-25H2,1-5H3;6-17,20-23H,18-19,24-25H2,1-5H3/b2*17-16+
• InChIKey: SMUHJQOTINDGRQ-MGLWWPSNSA-N
• XLogP: 16.28
• TPSA: 98.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.46
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?

The IUPAC name of 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 160879068) is 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

What is the SMILES notation for 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?

The canonical SMILES for 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc(C(C)(C)C)c(/C=C/C2=NCCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1.COc1cc(C(C)(C)C)c(/C=C/C2NCCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1.

What is the InChIKey of 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?

The InChIKey is SMUHJQOTINDGRQ-MGLWWPSNSA-N. The full InChI is InChI=1S/C37H41NO4.C37H39NO4/c2*1-37(2,3)31-23-34(40-5)36(42-25-27-14-10-7-11-15-27)21-29(31)16-17-32-30-22-33(39-4)35(20-28(30)18-19-38-32)41-24-26-12-8-6-9-13-26/h6-17,20-23,32,38H,18-19,24-25H2,1-5H3;6-17,20-23H,18-19,24-25H2,1-5H3/b2*17-16+.

What are the key properties of 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?

1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 1125.46 g/mol, XLogP of 16.28, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline;1-[(E)-2-(2-tert-butyl-4-methoxy-5-phenylmethoxyphenyl)ethenyl]-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 160879068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).