2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)

C243H246O35S14-2 — CID 157178191

IUPAC2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)
SMILESC.C.CCC(C)c1ccc(OC(=O)c2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OC(=O)c2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OCc2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OCc2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1cccc(COCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1cccc(OCCCS(=O)(=O)[O-])c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H22O4S.6C18H15S.3C17H18O5S.3C17H20O4S.C13H20O4S.2CH4/c1-3-14(2)17-6-4-5-16(11-17)13-22-12-15-7-9-18(10-8-15)23(19,20)21;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-4-8-15(9-5-13)22-17(18)14-6-10-16(11-7-14)23(19,20)21;1-3-12(2)13-7-9-15(10-8-13)22-17(18)14-5-4-6-16(11-14)23(19,20)21;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)15-6-8-16(9-7-15)21-12-14-4-10-17(11-5-14)22(18,19)20;1-3-13(2)15-7-9-16(10-8-15)21-12-14-5-4-6-17(11-14)22(18,19)20;1-3-13(2)14-8-10-16(11-9-14)21-12-15-6-4-5-7-17(15)22(18,19)20;1-3-11(2)12-6-4-7-13(10-12)17-8-5-9-18(14,15)16;;/h4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);6*1-15H;3*4-12H,3H2,1-2H3,(H,19,20,21);3*4-11,13H,3,12H2,1-2H3,(H,18,19,20);4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,14,15,16);2*1H4/q;6*+1;;;;;;;;;/p-8
InChIKeyAOGMINCCWQRBFU-UHFFFAOYSA-F
MW4175.54 g/mol
LogP57.32
Rot. Bonds65

About 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)

2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium) (PubChem CID 157178191) has the molecular formula C243H246O35S14-2 and a molecular weight of 4175.54 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium).

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)
PubChem CID157178191
Molecular FormulaC243H246O35S14-2
Molecular Weight4175.54 g/mol
Exact Mass4171.36
IUPAC Name2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)
SMILESC.C.CCC(C)c1ccc(OC(=O)c2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OC(=O)c2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OCc2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OCc2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1cccc(COCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1cccc(OCCCS(=O)(=O)[O-])c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H22O4S.6C18H15S.3C17H18O5S.3C17H20O4S.C13H20O4S.2CH4/c1-3-14(2)17-6-4-5-16(11-17)13-22-12-15-7-9-18(10-8-15)23(19,20)21;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-4-8-15(9-5-13)22-17(18)14-6-10-16(11-7-14)23(19,20)21;1-3-12(2)13-7-9-15(10-8-13)22-17(18)14-5-4-6-16(11-14)23(19,20)21;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)15-6-8-16(9-7-15)21-12-14-4-10-17(11-5-14)22(18,19)20;1-3-13(2)15-7-9-16(10-8-15)21-12-14-5-4-6-17(11-14)22(18,19)20;1-3-13(2)14-8-10-16(11-9-14)21-12-15-6-4-5-7-17(15)22(18,19)20;1-3-11(2)12-6-4-7-13(10-12)17-8-5-9-18(14,15)16;;/h4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);6*1-15H;3*4-12H,3H2,1-2H3,(H,19,20,21);3*4-11,13H,3,12H2,1-2H3,(H,18,19,20);4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,14,15,16);2*1H4/q;6*+1;;;;;;;;;/p-8
InChIKeyAOGMINCCWQRBFU-UHFFFAOYSA-F
XLogP57.32
TPSA582.65 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds65
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004175.54
LogP ≤ 557.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium) 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-[2-(4-butan-2-ylphenoxy)acetyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenyl)methoxy]-3-methoxybenzenesulfonate;tris(triphenylsulfanium)
CID 161066100
4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-(4-butan-2-ylphenoxy)propoxy]benzenesulfonate;bis(triphenylsulfanium)
CID 159296034
2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonic acid
CID 88855082
4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium
CID 158198528
(4-butan-2-ylphenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012070
[4-(4-phenylmethoxyphenyl)sulfonylphenyl] 3-(methylcarbamoyl)benzoate
CID 11123962
butan-2-ylbenzene;2-butan-2-ylnaphthalene;hexakis(4-butan-2-ylphenol);1-butan-2-yl-4-phenylbenzene;1-butan-2-yl-4-phenylmethoxybenzene;(4-butan-2-ylphenyl) naphthalene-2-carboxylate;pentakis(1,2-dimethyl-1,2-dihydroacenaphthylene)
CID 159039776
phenyl 3-[(4-propylphenoxy)methyl]benzoate
CID 10736361
(2-bromo-4-butan-2-ylphenyl) 4-(2-phenoxyethoxy)benzoate
CID 17187830
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
(4-phenylmethoxyphenyl) 3-[methoxy(methyl)sulfamoyl]benzoate
CID 71902045

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)?
The IUPAC name of 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium) (CID 157178191) is 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium).
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium) is C.C.CCC(C)c1ccc(OC(=O)c2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OC(=O)c2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OCc2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OCc2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1cccc(COCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1cccc(OCCCS(=O)(=O)[O-])c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)?
The InChIKey is AOGMINCCWQRBFU-UHFFFAOYSA-F. The full InChI is InChI=1S/C18H22O4S.6C18H15S.3C17H18O5S.3C17H20O4S.C13H20O4S.2CH4/c1-3-14(2)17-6-4-5-16(11-17)13-22-12-15-7-9-18(10-8-15)23(19,20)21;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-4-8-15(9-5-13)22-17(18)14-6-10-16(11-7-14)23(19,20)21;1-3-12(2)13-7-9-15(10-8-13)22-17(18)14-5-4-6-16(11-14)23(19,20)21;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)15-6-8-16(9-7-15)21-12-14-4-10-17(11-5-14)22(18,19)20;1-3-13(2)15-7-9-16(10-8-15)21-12-14-5-4-6-17(11-14)22(18,19)20;1-3-13(2)14-8-10-16(11-9-14)21-12-15-6-4-5-7-17(15)22(18,19)20;1-3-11(2)12-6-4-7-13(10-12)17-8-5-9-18(14,15)16;;/h4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);6*1-15H;3*4-12H,3H2,1-2H3,(H,19,20,21);3*4-11,13H,3,12H2,1-2H3,(H,18,19,20);4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,14,15,16);2*1H4/q;6*+1;;;;;;;;;/p-8.
What are the key properties of 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium)?
2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium) has a molecular weight of 4175.54 g/mol, XLogP of 57.32, 65 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;4-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;methane;hexakis(triphenylsulfanium) is sourced from PubChem (CID 157178191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).