1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene

C30H30O4S — CID 155694440

IUPAC1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O4S/c1-22(2)33-25-14-18-28(19-15-25)35(31,32)29-20-16-27(17-21-29)34-26-12-10-24(11-13-26)30(3,4)23-8-6-5-7-9-23/h5-22H,1-4H3
InChIKeyRBSJMXQDBXDRSO-UHFFFAOYSA-N
MW486.63 g/mol
LogP7.42
Rot. Bonds8

About 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene

1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene (PubChem CID 155694440) has the molecular formula C30H30O4S and a molecular weight of 486.63 g/mol. Its IUPAC name is 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
PubChem CID155694440
Molecular FormulaC30H30O4S
Molecular Weight486.63 g/mol
Exact Mass486.19
IUPAC Name1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O4S/c1-22(2)33-25-14-18-28(19-15-25)35(31,32)29-20-16-27(17-21-29)34-26-12-10-24(11-13-26)30(3,4)23-8-6-5-7-9-23/h5-22H,1-4H3
InChIKeyRBSJMXQDBXDRSO-UHFFFAOYSA-N
XLogP7.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.63
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
CID 148598428
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 142408445
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 155030070
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
[2-[4-(benzenesulfonyl)phenoxy]-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-fluoromethanesulfonic acid
CID 58825165
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158493330
4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 176913788

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene?
The IUPAC name of 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene (CID 155694440) is 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene.
What is the SMILES notation for 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene?
The canonical SMILES for 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene is CC(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene?
The InChIKey is RBSJMXQDBXDRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4S/c1-22(2)33-25-14-18-28(19-15-25)35(31,32)29-20-16-27(17-21-29)34-26-12-10-24(11-13-26)30(3,4)23-8-6-5-7-9-23/h5-22H,1-4H3.
What are the key properties of 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene?
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene has a molecular weight of 486.63 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene is sourced from PubChem (CID 155694440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).