2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene

C35H44O5 — CID 72553327

About 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene

2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene (PubChem CID 72553327) has the molecular formula C35H44O5 and a molecular weight of 544.73 g/mol. Its IUPAC name is 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene.

Molecular Properties

• Compound Name: 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene
• PubChem CID: 72553327
• Molecular Formula: C35H44O5
• Molecular Weight: 544.73 g/mol
• Exact Mass: 544.32
• IUPAC Name: 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene
• SMILES: CCc1cc(C=Cc2ccc(C=Cc3cc(OC)c(OC(C)CC)c(OC)c3)cc2)cc(OC)c1OC(C)CC
• InChI: InChI=1S/C35H44O5/c1-9-24(4)39-34-30(11-3)20-28(21-31(34)36-6)18-16-26-12-14-27(15-13-26)17-19-29-22-32(37-7)35(33(23-29)38-8)40-25(5)10-2/h12-25H,9-11H2,1-8H3
• InChIKey: JSDTUPCOCNHWNB-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.73
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene?

The IUPAC name of 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene (CID 72553327) is 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene.

What is the SMILES notation for 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene?

The canonical SMILES for 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene is CCc1cc(C=Cc2ccc(C=Cc3cc(OC)c(OC(C)CC)c(OC)c3)cc2)cc(OC)c1OC(C)CC.

What is the InChIKey of 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene?

The InChIKey is JSDTUPCOCNHWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44O5/c1-9-24(4)39-34-30(11-3)20-28(21-31(34)36-6)18-16-26-12-14-27(15-13-26)17-19-29-22-32(37-7)35(33(23-29)38-8)40-25(5)10-2/h12-25H,9-11H2,1-8H3.

What are the key properties of 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene?

2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene has a molecular weight of 544.73 g/mol, XLogP of 8.97, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene is sourced from PubChem (CID 72553327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).