[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone

C59H54O7S — CID 59132534

About [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone

[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone (PubChem CID 59132534) has the molecular formula C59H54O7S and a molecular weight of 907.14 g/mol. Its IUPAC name is [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone
• PubChem CID: 59132534
• Molecular Formula: C59H54O7S
• Molecular Weight: 907.14 g/mol
• Exact Mass: 906.36
• IUPAC Name: [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone
• SMILES: COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C59H54O7S/c1-39-9-34-54(37-40(39)2)67(61,62)55-35-36-56(41(3)38-55)66-53-32-20-47(21-33-53)59(6,7)46-18-30-52(31-19-46)65-50-24-12-43(13-25-50)57(60)42-10-22-49(23-11-42)64-51-28-16-45(17-29-51)58(4,5)44-14-26-48(63-8)27-15-44/h9-38H,1-8H3
• InChIKey: VEGLASIHKKYAOJ-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 88.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.14
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone?

The IUPAC name of [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone (CID 59132534) is [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone.

What is the SMILES notation for [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone?

The canonical SMILES for [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone is COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone?

The InChIKey is VEGLASIHKKYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54O7S/c1-39-9-34-54(37-40(39)2)67(61,62)55-35-36-56(41(3)38-55)66-53-32-20-47(21-33-53)59(6,7)46-18-30-52(31-19-46)65-50-24-12-43(13-25-50)57(60)42-10-22-49(23-11-42)64-51-28-16-45(17-29-51)58(4,5)44-14-26-48(63-8)27-15-44/h9-38H,1-8H3.

What are the key properties of [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone?

[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone has a molecular weight of 907.14 g/mol, XLogP of 14.71, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 59132534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).