1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene

C38H42O8S — CID 87210915

About 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene

1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene (PubChem CID 87210915) has the molecular formula C38H42O8S and a molecular weight of 658.81 g/mol. Its IUPAC name is 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene.

Molecular Properties

• Compound Name: 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene
• PubChem CID: 87210915
• Molecular Formula: C38H42O8S
• Molecular Weight: 658.81 g/mol
• Exact Mass: 658.26
• IUPAC Name: 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene
• SMILES: COc1ccc(C(/C=C/c2ccc(OC)c(C)c2OC)S(=O)(=O)C(/C=C/c2ccc(OC)c(C)c2OC)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C38H42O8S/c1-25-33(43-5)21-13-29(37(25)45-7)15-23-35(27-9-17-31(41-3)18-10-27)47(39,40)36(28-11-19-32(42-4)20-12-28)24-16-30-14-22-34(44-6)26(2)38(30)46-8/h9-24,35-36H,1-8H3/b23-15+,24-16+
• InChIKey: KPYJCIWZUILFQQ-DFEHQXHXSA-N
• XLogP: 7.98
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.81
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene?

The IUPAC name of 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene (CID 87210915) is 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene.

What is the SMILES notation for 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene?

The canonical SMILES for 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene is COc1ccc(C(/C=C/c2ccc(OC)c(C)c2OC)S(=O)(=O)C(/C=C/c2ccc(OC)c(C)c2OC)c2ccc(OC)cc2)cc1.

What is the InChIKey of 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene?

The InChIKey is KPYJCIWZUILFQQ-DFEHQXHXSA-N. The full InChI is InChI=1S/C38H42O8S/c1-25-33(43-5)21-13-29(37(25)45-7)15-23-35(27-9-17-31(41-3)18-10-27)47(39,40)36(28-11-19-32(42-4)20-12-28)24-16-30-14-22-34(44-6)26(2)38(30)46-8/h9-24,35-36H,1-8H3/b23-15+,24-16+.

What are the key properties of 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene?

1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene has a molecular weight of 658.81 g/mol, XLogP of 7.98, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene is sourced from PubChem (CID 87210915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).