[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone

C51H38O7S — CID 58922237

About [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone

[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone (PubChem CID 58922237) has the molecular formula C51H38O7S and a molecular weight of 794.93 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
• PubChem CID: 58922237
• Molecular Formula: C51H38O7S
• Molecular Weight: 794.93 g/mol
• Exact Mass: 794.23
• IUPAC Name: [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
• SMILES: COc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C51H38O7S/c1-35-3-31-49(32-4-35)59(53,54)50-33-29-48(30-34-50)58-45-23-11-39(12-24-45)38-9-21-44(22-10-38)57-47-27-15-41(16-28-47)51(52)40-13-25-46(26-14-40)56-43-19-7-37(8-20-43)36-5-17-42(55-2)18-6-36/h3-34H,1-2H3
• InChIKey: JBFUGXJSYALVHA-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 88.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.93
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone?

The IUPAC name of [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone (CID 58922237) is [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone.

What is the SMILES notation for [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone?

The canonical SMILES for [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone is COc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone?

The InChIKey is JBFUGXJSYALVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38O7S/c1-35-3-31-49(32-4-35)59(53,54)50-33-29-48(30-34-50)58-45-23-11-39(12-24-45)38-9-21-44(22-10-38)57-47-27-15-41(16-28-47)51(52)40-13-25-46(26-14-40)56-43-19-7-37(8-20-43)36-5-17-42(55-2)18-6-36/h3-34H,1-2H3.

What are the key properties of [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone?

[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone has a molecular weight of 794.93 g/mol, XLogP of 12.78, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone is sourced from PubChem (CID 58922237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).