1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene

C26H22O6S — CID 1106874

IUPAC1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22O6S/c1-29-19-3-7-21(8-4-19)31-23-11-15-25(16-12-23)33(27,28)26-17-13-24(14-18-26)32-22-9-5-20(30-2)6-10-22/h3-18H,1-2H3
InChIKeyZTNOFMQBXOSMGL-UHFFFAOYSA-N
MW462.52 g/mol
LogP6.12
Rot. Bonds8

About 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene

1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene (PubChem CID 1106874) has the molecular formula C26H22O6S and a molecular weight of 462.52 g/mol. Its IUPAC name is 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene
PubChem CID1106874
Molecular FormulaC26H22O6S
Molecular Weight462.52 g/mol
Exact Mass462.11
IUPAC Name1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22O6S/c1-29-19-3-7-21(8-4-19)31-23-11-15-25(16-12-23)33(27,28)26-17-13-24(14-18-26)32-22-9-5-20(30-2)6-10-22/h3-18H,1-2H3
InChIKeyZTNOFMQBXOSMGL-UHFFFAOYSA-N
XLogP6.12
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene?
The IUPAC name of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene (CID 1106874) is 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene?
The canonical SMILES for 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene is COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene?
The InChIKey is ZTNOFMQBXOSMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6S/c1-29-19-3-7-21(8-4-19)31-23-11-15-25(16-12-23)33(27,28)26-17-13-24(14-18-26)32-22-9-5-20(30-2)6-10-22/h3-18H,1-2H3.
What are the key properties of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene?
1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene has a molecular weight of 462.52 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]benzene is sourced from PubChem (CID 1106874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).