1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane

C61H64Cl2O8S2 — CID 165032541

IUPAC1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane
SMILESC.COc1c(C)cc(Cc2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(C)c2)cc1C.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C31H32O4S.C17H20O2.C12H8Cl2O2S.CH4/c1-20-7-11-28(12-8-20)36(32,33)29-13-9-27(10-14-29)35-31-23(4)17-26(18-24(31)5)19-25-15-21(2)30(34-6)22(3)16-25;1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;/h7-18H,19H2,1-6H3;5-8,18-19H,9H2,1-4H3;1-8H;1H4
InChIKeyMWPQAPRYAZONQU-UHFFFAOYSA-N
MW1060.21 g/mol
LogP15.84
Rot. Bonds11

About 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane

1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane (PubChem CID 165032541) has the molecular formula C61H64Cl2O8S2 and a molecular weight of 1060.21 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane
PubChem CID165032541
Molecular FormulaC61H64Cl2O8S2
Molecular Weight1060.21 g/mol
Exact Mass1058.34
IUPAC Name1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane
SMILESC.COc1c(C)cc(Cc2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(C)c2)cc1C.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C31H32O4S.C17H20O2.C12H8Cl2O2S.CH4/c1-20-7-11-28(12-8-20)36(32,33)29-13-9-27(10-14-29)35-31-23(4)17-26(18-24(31)5)19-25-15-21(2)30(34-6)22(3)16-25;1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;/h7-18H,19H2,1-6H3;5-8,18-19H,9H2,1-4H3;1-8H;1H4
InChIKeyMWPQAPRYAZONQU-UHFFFAOYSA-N
XLogP15.84
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.21
LogP ≤ 515.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane with MolForge

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Related Compounds

2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
CID 71397696
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 158449164
5-(benzenesulfonyl)-2-[4-(benzenesulfonyl)phenoxy]-1,3-dimethylbenzene
CID 139724883
4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]phenyl]sulfonyl-1,2-dimethylbenzene
CID 58427648
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone
CID 161152440
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane (CID 165032541) is 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane is C.COc1c(C)cc(Cc2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(C)c2)cc1C.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane?
The InChIKey is MWPQAPRYAZONQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4S.C17H20O2.C12H8Cl2O2S.CH4/c1-20-7-11-28(12-8-20)36(32,33)29-13-9-27(10-14-29)35-31-23(4)17-26(18-24(31)5)19-25-15-21(2)30(34-6)22(3)16-25;1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;/h7-18H,19H2,1-6H3;5-8,18-19H,9H2,1-4H3;1-8H;1H4.
What are the key properties of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane?
1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane has a molecular weight of 1060.21 g/mol, XLogP of 15.84, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane is sourced from PubChem (CID 165032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).