4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one

C156H200F10O18S4 — CID 158663341

IUPAC4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(C(=O)c2c(F)c(C(F)(F)F)c(S(=O)(=O)[O-])c(C(F)(F)F)c2F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC(C)C)C(C)(C)C)cc1.CCC(C)c1ccc(Oc2cc(F)c(S(=O)(=O)[O-])c(F)c2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(C)OC2CCCCC2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H36O2.C19H14F8O4S.C19H17S.C18H28O2.C18H30O2.C16H16F2O4S.C14H19OS.3C10H14O/c1-6-17(2)18-12-14-20(15-13-18)24-21(16-22(3,4)5)23-19-10-8-7-9-11-19;1-3-8(2)9-4-6-10(7-5-9)16(28)11-14(20)12(18(22,23)24)17(32(29,30)31)13(15(11)21)19(25,26)27;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-14(2)16-9-8-12-18(13-16)20-15(3)19-17-10-6-5-7-11-17;1-8-14(4)15-9-11-16(12-10-15)20-17(18(5,6)7)19-13(2)3;1-3-10(2)11-4-6-12(7-5-11)22-13-8-14(17)16(15(18)9-13)23(19,20)21;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9/h12-15,17,19,21H,6-11,16H2,1-5H3;4-8H,3H2,1-2H3,(H,29,30,31);2-15H,1H3;8-9,12-15,17H,4-7,10-11H2,1-3H3;9-14,17H,8H2,1-7H3;4-10H,3H2,1-2H3,(H,19,20,21);3-5,8-9H,6-7,10-11H2,1-2H3;3*4-8,11H,3H2,1-2H3/q;;+1;;;;+1;;;/p-2
InChIKeyIDAMQDPVTZTGLR-UHFFFAOYSA-L
MW2681.55 g/mol
LogP44.03
Rot. Bonds41

About 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one

4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one (PubChem CID 158663341) has the molecular formula C156H200F10O18S4 and a molecular weight of 2681.55 g/mol. Its IUPAC name is 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one.

Molecular Properties

Compound Name4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
PubChem CID158663341
Molecular FormulaC156H200F10O18S4
Molecular Weight2681.55 g/mol
Exact Mass2679.35
IUPAC Name4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(C(=O)c2c(F)c(C(F)(F)F)c(S(=O)(=O)[O-])c(C(F)(F)F)c2F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC(C)C)C(C)(C)C)cc1.CCC(C)c1ccc(Oc2cc(F)c(S(=O)(=O)[O-])c(F)c2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(C)OC2CCCCC2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H36O2.C19H14F8O4S.C19H17S.C18H28O2.C18H30O2.C16H16F2O4S.C14H19OS.3C10H14O/c1-6-17(2)18-12-14-20(15-13-18)24-21(16-22(3,4)5)23-19-10-8-7-9-11-19;1-3-8(2)9-4-6-10(7-5-9)16(28)11-14(20)12(18(22,23)24)17(32(29,30)31)13(15(11)21)19(25,26)27;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-14(2)16-9-8-12-18(13-16)20-15(3)19-17-10-6-5-7-11-17;1-8-14(4)15-9-11-16(12-10-15)20-17(18(5,6)7)19-13(2)3;1-3-10(2)11-4-6-12(7-5-11)22-13-8-14(17)16(15(18)9-13)23(19,20)21;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9/h12-15,17,19,21H,6-11,16H2,1-5H3;4-8H,3H2,1-2H3,(H,29,30,31);2-15H,1H3;8-9,12-15,17H,4-7,10-11H2,1-3H3;9-14,17H,8H2,1-7H3;4-10H,3H2,1-2H3,(H,19,20,21);3-5,8-9H,6-7,10-11H2,1-2H3;3*4-8,11H,3H2,1-2H3/q;;+1;;;;+1;;;/p-2
InChIKeyIDAMQDPVTZTGLR-UHFFFAOYSA-L
XLogP44.03
TPSA273.84 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002681.55
LogP ≤ 544.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one with MolForge

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Related Compounds

[3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl] hydrogen sulfite
CID 58795320
4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-[4-[4-[4-[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]phenoxy]benzoyl]phenoxy]phenyl]-(4-sulfophenyl)methyl]benzenesulfonic acid
CID 59648950
4-[2-[2-[[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-5-methylphenoxy]ethyl]benzene-1,3-disulfonic acid;2-[5-methyl-2-[[4-[4-[4-(4-methylbenzoyl)phenoxy]benzoyl]phenyl]methyl]phenyl]sulfonylethanesulfonic acid
CID 91165614
[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
Lithium;3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid;[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylidenecyclohexa-1,5-diene-1-carbonyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-methyl-3-(4-sulfanylbenzoyl)phenyl]phenyl]methanone;hydride;oxathiolane 2,2-dioxide
CID 157224354
2-Butan-2-ylanthracene-9,10-dione;4-butan-2-yl-2-fluoro-1-(1-methylcyclohexyl)oxybenzene;4-butan-2-ylphenol;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;5-phenyldibenzothiophen-5-ium
CID 157295600
1-(3,3-Difluorobutyl)adamantane;2,2-difluorobutyl adamantane-1-carboxylate;1-(3-fluorobutyl)adamantane;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;(4-methoxyphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)
CID 157382617
2,2-Dimethylpropyl 2-[2-(2,2-dimethylpropoxysulfonyl)-4-[[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]phenyl]-5-methylbenzenesulfonate;2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxysulfonyl)-4-[[4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]methyl]phenyl]-5-methylbenzenesulfonate
CID 157548113
4-[(4-Butan-2-ylphenyl)methoxy]benzenesulfonate;bis(4-(2,2-dimethylbutanoyloxy)-1,1,2-trifluorobutane-1-sulfonate);diphenyl-[4-(1-phenylethoxycarbonyl)phenyl]sulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 157657721
Bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;1,2-dimethyl-4-(4-methylphenoxy)benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157710345
2-[[4-(4-Fluorophenoxy)phenyl]sulfonylmethyl]-4-propan-2-yl-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-4-propan-2-yl-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid;2-[(4-phenoxyphenyl)sulfonylmethyl]-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-[(4-phenoxyphenyl)sulfonylmethyl]-4-propan-2-yl-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid
CID 157790976
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-adamantylmethyl 2,2-difluoropropanoate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;triphenylsulfanium
CID 157828885

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?
The IUPAC name of 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one (CID 158663341) is 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one.
What is the SMILES notation for 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?
The canonical SMILES for 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(C(=O)c2c(F)c(C(F)(F)F)c(S(=O)(=O)[O-])c(C(F)(F)F)c2F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC(C)C)C(C)(C)C)cc1.CCC(C)c1ccc(Oc2cc(F)c(S(=O)(=O)[O-])c(F)c2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(C)OC2CCCCC2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?
The InChIKey is IDAMQDPVTZTGLR-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H36O2.C19H14F8O4S.C19H17S.C18H28O2.C18H30O2.C16H16F2O4S.C14H19OS.3C10H14O/c1-6-17(2)18-12-14-20(15-13-18)24-21(16-22(3,4)5)23-19-10-8-7-9-11-19;1-3-8(2)9-4-6-10(7-5-9)16(28)11-14(20)12(18(22,23)24)17(32(29,30)31)13(15(11)21)19(25,26)27;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-14(2)16-9-8-12-18(13-16)20-15(3)19-17-10-6-5-7-11-17;1-8-14(4)15-9-11-16(12-10-15)20-17(18(5,6)7)19-13(2)3;1-3-10(2)11-4-6-12(7-5-11)22-13-8-14(17)16(15(18)9-13)23(19,20)21;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9/h12-15,17,19,21H,6-11,16H2,1-5H3;4-8H,3H2,1-2H3,(H,29,30,31);2-15H,1H3;8-9,12-15,17H,4-7,10-11H2,1-3H3;9-14,17H,8H2,1-7H3;4-10H,3H2,1-2H3,(H,19,20,21);3-5,8-9H,6-7,10-11H2,1-2H3;3*4-8,11H,3H2,1-2H3/q;;+1;;;;+1;;;/p-2.
What are the key properties of 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?
4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one has a molecular weight of 2681.55 g/mol, XLogP of 44.03, 41 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one is sourced from PubChem (CID 158663341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).