4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol

C30H30O8S2 — CID 66718430

IUPAC4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(OCCCOc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O8S2/c1-22(2)38-26-10-18-30(19-11-26)40(34,35)29-16-8-25(9-17-29)37-21-3-20-36-24-6-14-28(15-7-24)39(32,33)27-12-4-23(31)5-13-27/h4-19,22,31H,3,20-21H2,1-2H3
InChIKeyBZTJBYBWHCSIJP-UHFFFAOYSA-N
MW582.70 g/mol
LogP5.69
Rot. Bonds12

About 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol

4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol (PubChem CID 66718430) has the molecular formula C30H30O8S2 and a molecular weight of 582.70 g/mol. Its IUPAC name is 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
PubChem CID66718430
Molecular FormulaC30H30O8S2
Molecular Weight582.70 g/mol
Exact Mass582.14
IUPAC Name4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(OCCCOc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O8S2/c1-22(2)38-26-10-18-30(19-11-26)40(34,35)29-16-8-25(9-17-29)37-21-3-20-36-24-6-14-28(15-7-24)39(32,33)27-12-4-23(31)5-13-27/h4-19,22,31H,3,20-21H2,1-2H3
InChIKeyBZTJBYBWHCSIJP-UHFFFAOYSA-N
XLogP5.69
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol with MolForge

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

Launch Full Analysis

Related Compounds

1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 22020843
4-[4-[10-[4-(4-methoxyphenyl)sulfonylphenoxy]decoxy]phenyl]sulfonylphenol
CID 139963560
4-[4-[7-[4-(4-ethoxyphenyl)sulfonylphenoxy]heptoxy]phenyl]sulfonylphenol
CID 139963527
4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenol
CID 71105889
4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
CID 67017164
4-[4-[1-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethylsulfanylmethylsulfanyl]ethoxy]phenyl]sulfonylphenol
CID 87292826
1-hexoxy-4-[4-[1-[4-(4-hexoxyphenyl)sulfonylphenoxy]ethoxy]phenyl]sulfonylbenzene
CID 139826928
ethane;4-propan-2-yloxyphenol
CID 142348653
2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol
CID 86035044
2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol
CID 19967672
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 22020849

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol?
The IUPAC name of 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol (CID 66718430) is 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol.
What is the SMILES notation for 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol?
The canonical SMILES for 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol is CC(C)Oc1ccc(S(=O)(=O)c2ccc(OCCCOc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol?
The InChIKey is BZTJBYBWHCSIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O8S2/c1-22(2)38-26-10-18-30(19-11-26)40(34,35)29-16-8-25(9-17-29)37-21-3-20-36-24-6-14-28(15-7-24)39(32,33)27-12-4-23(31)5-13-27/h4-19,22,31H,3,20-21H2,1-2H3.
What are the key properties of 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol?
4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol has a molecular weight of 582.70 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 66718430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).