1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran

C105H100O19S6 — CID 158065590

IUPAC1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran
SMILESCOc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.COc1cccc(S(=O)(=O)c2ccc(C)cc2)c1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2oc3ccc(S(C)(=O)=O)cc3c2c1
InChIInChI=1S/C29H28O4S.C26H22O4S.C14H12O3S.2C14H14O3S.C8H10O2S/c1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-19-3-15-25(16-4-19)31(27,28)26-17-13-24(14-18-26)30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20;1-9-3-5-13-11(7-9)12-8-10(18(2,15)16)4-6-14(12)17-13;1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14;1-11-6-8-13(9-7-11)18(15,16)14-5-3-4-12(10-14)17-2;1-7-3-5-8(6-4-7)11(2,9)10/h5-20H,1-4H3;3-18H,1-2H3;3-8H,1-2H3;2*3-10H,1-2H3;3-6H,1-2H3
InChIKeyFLELJJDUTHPZRF-UHFFFAOYSA-N
MW1858.34 g/mol
LogP23.62
Rot. Bonds21

About 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran

1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran (PubChem CID 158065590) has the molecular formula C105H100O19S6 and a molecular weight of 1858.34 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran.

Molecular Properties

Compound Name1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran
PubChem CID158065590
Molecular FormulaC105H100O19S6
Molecular Weight1858.34 g/mol
Exact Mass1856.52
IUPAC Name1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran
SMILESCOc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.COc1cccc(S(=O)(=O)c2ccc(C)cc2)c1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2oc3ccc(S(C)(=O)=O)cc3c2c1
InChIInChI=1S/C29H28O4S.C26H22O4S.C14H12O3S.2C14H14O3S.C8H10O2S/c1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-19-3-15-25(16-4-19)31(27,28)26-17-13-24(14-18-26)30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20;1-9-3-5-13-11(7-9)12-8-10(18(2,15)16)4-6-14(12)17-13;1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14;1-11-6-8-13(9-7-11)18(15,16)14-5-3-4-12(10-14)17-2;1-7-3-5-8(6-4-7)11(2,9)10/h5-20H,1-4H3;3-18H,1-2H3;3-8H,1-2H3;2*3-10H,1-2H3;3-6H,1-2H3
InChIKeyFLELJJDUTHPZRF-UHFFFAOYSA-N
XLogP23.62
TPSA273.36 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.34
LogP ≤ 523.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran with MolForge

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Related Compounds

3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
(4-Methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene;1,2,4,5-tetrafluoro-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-(4-methoxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenoxy]phenyl]benzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]benzene
CID 123398461
2-Ethyl-7-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-benzofuran
CID 124144318
2-Ethyl-5-(4-ethylsulfonylphenyl)-7-(4-fluorophenyl)-1-benzofuran
CID 124144339
[Bis(4-tert-butylphenyl)-dibenzofuran-1-yl-lambda4-sulfanyl] trifluoromethanesulfonate
CID 140149300
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene
CID 158678435
CID 158852094
CID 158852094
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene
CID 161146393
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene
CID 161632108
3-Acetyl-4-tert-butylbenzenesulfonic acid;7-tert-butyl-1-benzofuran-4-sulfonic acid;bis(4-tert-butyl-2-fluoro-5-methylbenzenesulfonic acid);4-tert-butyl-2-fluoro-6-methylbenzenesulfonic acid;4-tert-butyl-2-(trifluoromethyl)benzenesulfonic acid
CID 167540968
5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran
CID 123958991
5-(Methylsulfonyl)-2,3-diphenylbenzofuran
CID 139047551

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran?
The IUPAC name of 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran (CID 158065590) is 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran.
What is the SMILES notation for 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran?
The canonical SMILES for 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran is COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.COc1cccc(S(=O)(=O)c2ccc(C)cc2)c1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2oc3ccc(S(C)(=O)=O)cc3c2c1.
What is the InChIKey of 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran?
The InChIKey is FLELJJDUTHPZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4S.C26H22O4S.C14H12O3S.2C14H14O3S.C8H10O2S/c1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-19-3-15-25(16-4-19)31(27,28)26-17-13-24(14-18-26)30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20;1-9-3-5-13-11(7-9)12-8-10(18(2,15)16)4-6-14(12)17-13;1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14;1-11-6-8-13(9-7-11)18(15,16)14-5-3-4-12(10-14)17-2;1-7-3-5-8(6-4-7)11(2,9)10/h5-20H,1-4H3;3-18H,1-2H3;3-8H,1-2H3;2*3-10H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran?
1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran has a molecular weight of 1858.34 g/mol, XLogP of 23.62, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylphenyl)sulfonylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;2-methyl-8-methylsulfonyldibenzofuran is sourced from PubChem (CID 158065590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).