1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene

C32H34O4S — CID 142408445

IUPAC1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OC(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34O4S/c1-23-7-19-29(20-8-23)37(33,34)30-21-17-27(18-22-30)35-26-13-9-24(10-14-26)32(5,6)25-11-15-28(16-12-25)36-31(2,3)4/h7-22H,1-6H3
InChIKeyOLPNCPUZJKEQTI-UHFFFAOYSA-N
MW514.69 g/mol
LogP8.12
Rot. Bonds7

About 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene

1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene (PubChem CID 142408445) has the molecular formula C32H34O4S and a molecular weight of 514.69 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
PubChem CID142408445
Molecular FormulaC32H34O4S
Molecular Weight514.69 g/mol
Exact Mass514.22
IUPAC Name1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OC(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34O4S/c1-23-7-19-29(20-8-23)37(33,34)30-21-17-27(18-22-30)35-26-13-9-24(10-14-26)32(5,6)25-11-15-28(16-12-25)36-31(2,3)4/h7-22H,1-6H3
InChIKeyOLPNCPUZJKEQTI-UHFFFAOYSA-N
XLogP8.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.69
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene (CID 142408445) is 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene is Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OC(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The InChIKey is OLPNCPUZJKEQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O4S/c1-23-7-19-29(20-8-23)37(33,34)30-21-17-27(18-22-30)35-26-13-9-24(10-14-26)32(5,6)25-11-15-28(16-12-25)36-31(2,3)4/h7-22H,1-6H3.
What are the key properties of 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene has a molecular weight of 514.69 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene is sourced from PubChem (CID 142408445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).