1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium

C151H182F10O18S4 — CID 157139437

IUPAC1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium
SMILESCCC(C)(C)C(=O)O.CCC(C)c1ccc(C(F)(F)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)(C)C.Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17S.C18H28O2.C18H15S.C17H14F6O3S.C17H28O2.C16H14F4O4S.C16H24O.C14H18O3.C10H14O.C6H12O2/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-4-6-10(7-5-9)17(22,23)11-12(18)14(20)16(27(24,25)26)15(21)13(11)19;1-7-13(3)14-9-11-15(12-10-14)19-16(18-8-2)17(4,5)6;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-3-13(2)14-9-11-16(12-10-14)17-15-7-5-4-6-8-15;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-3-8(2)9-4-6-10(11)7-5-9;1-4-6(2,3)5(7)8/h2-15H,1H3;10-15,17H,4-9H2,1-3H3;1-15H;4-8H,3H2,1-2H3,(H,24,25,26);9-13,16H,7-8H2,1-6H3;4-8H,3H2,1-2H3,(H,21,22,23);9-13,15H,3-8H2,1-2H3;4-7,10,13H,3,8-9H2,1-2H3;4-8,11H,3H2,1-2H3;4H2,1-3H3,(H,7,8)/q+1;;+1;;;;;;;/p-2
InChIKeyAKACQMWBZFODAQ-UHFFFAOYSA-L
MW2603.35 g/mol
LogP41.61
Rot. Bonds40

About 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium

1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium (PubChem CID 157139437) has the molecular formula C151H182F10O18S4 and a molecular weight of 2603.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium.

Molecular Properties

Compound Name1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium
PubChem CID157139437
Molecular FormulaC151H182F10O18S4
Molecular Weight2603.35 g/mol
Exact Mass2601.20
IUPAC Name1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium
SMILESCCC(C)(C)C(=O)O.CCC(C)c1ccc(C(F)(F)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)(C)C.Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17S.C18H28O2.C18H15S.C17H14F6O3S.C17H28O2.C16H14F4O4S.C16H24O.C14H18O3.C10H14O.C6H12O2/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-4-6-10(7-5-9)17(22,23)11-12(18)14(20)16(27(24,25)26)15(21)13(11)19;1-7-13(3)14-9-11-15(12-10-14)19-16(18-8-2)17(4,5)6;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-3-13(2)14-9-11-16(12-10-14)17-15-7-5-4-6-8-15;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-3-8(2)9-4-6-10(11)7-5-9;1-4-6(2,3)5(7)8/h2-15H,1H3;10-15,17H,4-9H2,1-3H3;1-15H;4-8H,3H2,1-2H3,(H,24,25,26);9-13,16H,7-8H2,1-6H3;4-8H,3H2,1-2H3,(H,21,22,23);9-13,15H,3-8H2,1-2H3;4-7,10,13H,3,8-9H2,1-2H3;4-8,11H,3H2,1-2H3;4H2,1-3H3,(H,7,8)/q+1;;+1;;;;;;;/p-2
InChIKeyAKACQMWBZFODAQ-UHFFFAOYSA-L
XLogP41.61
TPSA262.84 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds40
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002603.35
LogP ≤ 541.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium with MolForge

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Launch Full Analysis

Related Compounds

Butan-2-ylbenzene;bis(4-butan-2-ylphenol);(4-butan-2-ylphenyl) tert-butyl carbonate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);4-methylbenzenesulfonate;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;trifluoromethanesulfonate
CID 157120521
tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;tris(4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate);1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;tris((4-methylphenyl)-diphenylsulfanium);(2-methyl-1-phenylpropyl) 2,2-dimethylbutanoate;1-(4-phenylphenyl)ethyl 2,2-dimethylbutanoate;triphenylsulfanium
CID 157120580
1-(1-Benzhydryloxy-2-methyl-2-phenylpropoxy)-4-butan-2-ylbenzene;bis(4-butan-2-ylphenol);1-[[1-(4-butan-2-ylphenoxy)-2,2-diethylbutoxy]methyl]adamantane;5-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]naphthalene-1-sulfonate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;5-(4-cyclohexylphenyl)dibenzothiophen-5-ium;triphenylsulfanium
CID 157128372
[1-[2-(1-Adamantyl)ethoxy]-3,3-dimethylbutyl] 2,2-dimethylbutanoate;bis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)sulfonyl-difluoromethanesulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;triphenylsulfanium
CID 157155154
Bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate
CID 157167788
Tris(4-butan-2-ylphenol);2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate);3-[4-(2,2-dimethylbutanoyloxy)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-(4-propan-2-ylphenyl)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)
CID 157482216
1-Butan-2-yl-4-(1-cyclohexyloxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)ethoxy]benzene;1-butan-2-yl-4-[ethoxy-(1-methylcyclohexyl)methoxy]benzene;bis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-oxomethanesulfonate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium
CID 157884992
1-Butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]-2,3,5,6-tetrafluorobenzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;4-[(4-butan-2-ylphenoxy)methyl]-2,3,5,6-tetrafluorobenzenesulfonate;4-butan-2-yl-2,3,5,6-tetrafluorophenol;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium
CID 157897874
4-Butan-2-ylbenzenesulfonate;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)
CID 157975160
Bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium
CID 158006949
1-Butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)
CID 158025625
Bis(4-butan-2-ylphenol);2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;methane;1-phenylethyl 2,2-dimethylbutanoate;1-(4-propan-2-ylphenyl)ethyl 2,2-dimethylbutanoate;triphenylsulfanium
CID 158104046

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
The IUPAC name of 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium (CID 157139437) is 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium.
What is the SMILES notation for 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
The canonical SMILES for 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium is CCC(C)(C)C(=O)O.CCC(C)c1ccc(C(F)(F)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)(C)C.Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
The InChIKey is AKACQMWBZFODAQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H17S.C18H28O2.C18H15S.C17H14F6O3S.C17H28O2.C16H14F4O4S.C16H24O.C14H18O3.C10H14O.C6H12O2/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-4-6-10(7-5-9)17(22,23)11-12(18)14(20)16(27(24,25)26)15(21)13(11)19;1-7-13(3)14-9-11-15(12-10-14)19-16(18-8-2)17(4,5)6;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-3-13(2)14-9-11-16(12-10-14)17-15-7-5-4-6-8-15;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-3-8(2)9-4-6-10(11)7-5-9;1-4-6(2,3)5(7)8/h2-15H,1H3;10-15,17H,4-9H2,1-3H3;1-15H;4-8H,3H2,1-2H3,(H,24,25,26);9-13,16H,7-8H2,1-6H3;4-8H,3H2,1-2H3,(H,21,22,23);9-13,15H,3-8H2,1-2H3;4-7,10,13H,3,8-9H2,1-2H3;4-8,11H,3H2,1-2H3;4H2,1-3H3,(H,7,8)/q+1;;+1;;;;;;;/p-2.
What are the key properties of 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium has a molecular weight of 2603.35 g/mol, XLogP of 41.61, 40 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-cyclohexyloxybenzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[(4-butan-2-ylphenyl)-difluoromethyl]-2,3,5,6-tetrafluorobenzenesulfonate;2,2-dimethylbutanoic acid;(3-methylphenyl)-diphenylsulfanium;triphenylsulfanium is sourced from PubChem (CID 157139437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).