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

C30H30O4S — CID 148598428

IUPAC1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
SMILESCC(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O4S/c1-21(2)23-9-17-29(18-10-23)35(31,32)30-19-15-28(16-20-30)34-27-13-7-25(8-14-27)24-5-11-26(12-6-24)33-22(3)4/h5-22H,1-4H3
InChIKeyNCANSEVZPIQDRP-UHFFFAOYSA-N
MW486.63 g/mol
LogP7.89
Rot. Bonds8

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

1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene (PubChem CID 148598428) has the molecular formula C30H30O4S and a molecular weight of 486.63 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
PubChem CID148598428
Molecular FormulaC30H30O4S
Molecular Weight486.63 g/mol
Exact Mass486.19
IUPAC Name1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
SMILESCC(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O4S/c1-21(2)23-9-17-29(18-10-23)35(31,32)30-19-15-28(16-20-30)34-27-13-7-25(8-14-27)24-5-11-26(12-6-24)33-22(3)4/h5-22H,1-4H3
InChIKeyNCANSEVZPIQDRP-UHFFFAOYSA-N
XLogP7.89
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 ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
4-[4-[1-[4-[4-[4-[4-(1-hydroxyethyl)phenyl]phenoxy]phenyl]sulfonylphenyl]ethoxy]phenyl]phenol
CID 153019359
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
CID 67017164
2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol
CID 86035044
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol
CID 19967672
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63441254
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene (CID 148598428) is 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene is CC(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene?
The InChIKey is NCANSEVZPIQDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4S/c1-21(2)23-9-17-29(18-10-23)35(31,32)30-19-15-28(16-20-30)34-27-13-7-25(8-14-27)24-5-11-26(12-6-24)33-22(3)4/h5-22H,1-4H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene?
1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene has a molecular weight of 486.63 g/mol, XLogP of 7.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene is sourced from PubChem (CID 148598428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).