4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene

C60H48F12O8S2 — CID 91207003

IUPAC4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
SMILESCOc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)c(C)c4)cc3C)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C31H26F6O4S.C29H22F6O4S/c1-19-5-14-26(17-20(19)2)42(38,39)27-15-16-28(21(3)18-27)41-25-12-8-23(9-13-25)29(30(32,33)34,31(35,36)37)22-6-10-24(40-4)11-7-22;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20/h5-18H,1-4H3;3-18H,1-2H3
InChIKeyWQDONINZQDURSC-UHFFFAOYSA-N
MW1189.15 g/mol
LogP16.70
Rot. Bonds14

About 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene

4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene (PubChem CID 91207003) has the molecular formula C60H48F12O8S2 and a molecular weight of 1189.15 g/mol. Its IUPAC name is 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
PubChem CID91207003
Molecular FormulaC60H48F12O8S2
Molecular Weight1189.15 g/mol
Exact Mass1188.26
IUPAC Name4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
SMILESCOc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)c(C)c4)cc3C)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C31H26F6O4S.C29H22F6O4S/c1-19-5-14-26(17-20(19)2)42(38,39)27-15-16-28(21(3)18-27)41-25-12-8-23(9-13-25)29(30(32,33)34,31(35,36)37)22-6-10-24(40-4)11-7-22;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20/h5-18H,1-4H3;3-18H,1-2H3
InChIKeyWQDONINZQDURSC-UHFFFAOYSA-N
XLogP16.70
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001189.15
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene 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

(4-Methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate
CID 18683142
1-(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl)-4-(4-methylsulfonylphenoxy)benzene
CID 18996448
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]benzene
CID 18996449
1-(2-Phenylpropan-2-yl)-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996457
1-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996464
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
CID 18996468
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964680
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21965037

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene (CID 91207003) is 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene is COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)c(C)c4)cc3C)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene?
The InChIKey is WQDONINZQDURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6O4S.C29H22F6O4S/c1-19-5-14-26(17-20(19)2)42(38,39)27-15-16-28(21(3)18-27)41-25-12-8-23(9-13-25)29(30(32,33)34,31(35,36)37)22-6-10-24(40-4)11-7-22;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20/h5-18H,1-4H3;3-18H,1-2H3.
What are the key properties of 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene?
4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene has a molecular weight of 1189.15 g/mol, XLogP of 16.70, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-methylphenyl]sulfonyl-1,2-dimethylbenzene;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 91207003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).