1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene

C22H22O4S — CID 155030070

IUPAC1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22O4S/c1-22(2,3)26-19-11-9-17(10-12-19)25-18-13-15-21(16-14-18)27(23,24)20-7-5-4-6-8-20/h4-16H,1-3H3
InChIKeyWGMUECHQTGDPNY-UHFFFAOYSA-N
MW382.48 g/mol
LogP5.49
Rot. Bonds5

About 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene

1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 155030070) has the molecular formula C22H22O4S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID155030070
Molecular FormulaC22H22O4S
Molecular Weight382.48 g/mol
Exact Mass382.12
IUPAC Name1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22O4S/c1-22(2,3)26-19-11-9-17(10-12-19)25-18-13-15-21(16-14-18)27(23,24)20-7-5-4-6-8-20/h4-16H,1-3H3
InChIKeyWGMUECHQTGDPNY-UHFFFAOYSA-N
XLogP5.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 153455633
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 142408445
1-tert-butyl-4-[1-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]ethyl]benzene
CID 155477330
4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912
bromo-[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-λ4-sulfane
CID 140512605
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 152900210
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonylbenzene
CID 70933188
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
1-[4-[4-(1,1-dihydroxyethoxy)phenyl]sulfonylphenoxy]ethane-1,1-diol
CID 88688649
5-(benzenesulfonyl)-2-[4-(benzenesulfonyl)phenoxy]-1,3-dimethylbenzene
CID 139724883
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene (CID 155030070) is 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is WGMUECHQTGDPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4S/c1-22(2,3)26-19-11-9-17(10-12-19)25-18-13-15-21(16-14-18)27(23,24)20-7-5-4-6-8-20/h4-16H,1-3H3.
What are the key properties of 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene?
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 382.48 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 155030070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).