benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene

C118H146F6O10S — CID 157425430

IUPACbenzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C18H14O2.C17H14F6O2.C17H20O2.C14H14O4S.6C6H6.8C2H6/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14;6*1-2-4-6-5-3-1;8*1-2/h1-14H;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;6*1-6H;8*1-2H3
InChIKeyBPXCOJFSJIPYEJ-UHFFFAOYSA-N
MW1870.51 g/mol
LogP35.28
Rot. Bonds16

About benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene

benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene (PubChem CID 157425430) has the molecular formula C118H146F6O10S and a molecular weight of 1870.51 g/mol. Its IUPAC name is benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Namebenzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene
PubChem CID157425430
Molecular FormulaC118H146F6O10S
Molecular Weight1870.51 g/mol
Exact Mass1869.05
IUPAC Namebenzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C18H14O2.C17H14F6O2.C17H20O2.C14H14O4S.6C6H6.8C2H6/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14;6*1-2-4-6-5-3-1;8*1-2/h1-14H;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;6*1-6H;8*1-2H3
InChIKeyBPXCOJFSJIPYEJ-UHFFFAOYSA-N
XLogP35.28
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001870.51
LogP ≤ 535.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene with MolForge

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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
1-(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl)-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996469
1-[3-[4-(Trifluoromethyl)phenoxy]phenoxy]-2-[2-[3-[4-(trifluoromethyl)phenoxy]phenoxy]phenyl]sulfonylbenzene
CID 19987051
1-[3-[3-(Trifluoromethyl)phenoxy]phenoxy]-2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]sulfonylbenzene
CID 19987056
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-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

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene?
The IUPAC name of benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene (CID 157425430) is benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene.
What is the SMILES notation for benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene?
The canonical SMILES for benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene?
The InChIKey is BPXCOJFSJIPYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2.C17H14F6O2.C17H20O2.C14H14O4S.6C6H6.8C2H6/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14;6*1-2-4-6-5-3-1;8*1-2/h1-14H;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;6*1-6H;8*1-2H3.
What are the key properties of benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene?
benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene has a molecular weight of 1870.51 g/mol, XLogP of 35.28, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-diphenoxybenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 157425430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).