2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

C200H288F5NO25S5 — CID 160720943

IUPAC2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESC=C(OC)C(C)(C)c1ccc(C(C)C)cc1OC.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(CC(C)(C)O)c(F)c1.CC(C)c1ccc(OCC(C)(C)O)cc1.CC(C)c1ccc(S(=O)(=O)C2CCOC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CCCOc1ccc(C(C)C)cc1C.CCOc1cc(C(C)C)ccc1CC.CCOc1ccc(C(C)C)cc1CO.COCC#Cc1ccc(C(C)C)cc1F.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(S(C)(=O)=O)ccc1C(C)C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H24O2.C14H22O2.C13H19FO.C13H15FO.C13H19NO2S.C13H18O3S.C13H20O2.C13H18O.2C13H20O.C12H18O2.C11H13F3.C11H16O3S.2C11H16O2S.C10H14/c1-11(2)13-8-9-14(15(10-13)18-7)16(4,5)12(3)17-6;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-9(2)10-5-6-11(12(14)7-10)8-13(3,4)15;1-10(2)12-7-6-11(13(14)9-12)5-4-8-15-3;1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-10(2)11-3-5-12(6-4-11)17(14,15)13-7-8-16-9-13;1-10(2)11-5-7-12(8-6-11)15-9-13(3,4)14;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;1-5-8-14-13-7-6-12(10(2)3)9-11(13)4;1-5-11-7-8-12(10(3)4)9-13(11)14-6-2;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)9-5-6-11(15(4,12)13)10(7-9)14-3;1-8(2)11-6-5-10(7-9(11)3)14(4,12)13;1-8(2)10-5-6-11(9(3)7-10)14(4,12)13;1-8(2)10-6-4-5-9(3)7-10/h8-11H,3H2,1-2,4-7H3;7-10H,1-6H3;5-7,9,15H,8H2,1-4H3;6-7,9-10H,8H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;5-8,10,14H,9H2,1-4H3;4-7,10,14H,3,8-9H2,1-2H3;6-7,9-10H,5,8H2,1-4H3;7-10H,5-6H2,1-4H3;5-7,9,13H,4,8H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3
InChIKeyRTCBJSSLHAGOLI-UHFFFAOYSA-N
MW3361.81 g/mol
LogP50.47
Rot. Bonds46

About 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 160720943) has the molecular formula C200H288F5NO25S5 and a molecular weight of 3361.81 g/mol. Its IUPAC name is 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID160720943
Molecular FormulaC200H288F5NO25S5
Molecular Weight3361.81 g/mol
Exact Mass3358.98
IUPAC Name2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESC=C(OC)C(C)(C)c1ccc(C(C)C)cc1OC.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(CC(C)(C)O)c(F)c1.CC(C)c1ccc(OCC(C)(C)O)cc1.CC(C)c1ccc(S(=O)(=O)C2CCOC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CCCOc1ccc(C(C)C)cc1C.CCOc1cc(C(C)C)ccc1CC.CCOc1ccc(C(C)C)cc1CO.COCC#Cc1ccc(C(C)C)cc1F.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(S(C)(=O)=O)ccc1C(C)C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H24O2.C14H22O2.C13H19FO.C13H15FO.C13H19NO2S.C13H18O3S.C13H20O2.C13H18O.2C13H20O.C12H18O2.C11H13F3.C11H16O3S.2C11H16O2S.C10H14/c1-11(2)13-8-9-14(15(10-13)18-7)16(4,5)12(3)17-6;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-9(2)10-5-6-11(12(14)7-10)8-13(3,4)15;1-10(2)12-7-6-11(13(14)9-12)5-4-8-15-3;1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-10(2)11-3-5-12(6-4-11)17(14,15)13-7-8-16-9-13;1-10(2)11-5-7-12(8-6-11)15-9-13(3,4)14;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;1-5-8-14-13-7-6-12(10(2)3)9-11(13)4;1-5-11-7-8-12(10(3)4)9-13(11)14-6-2;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)9-5-6-11(15(4,12)13)10(7-9)14-3;1-8(2)11-6-5-10(7-9(11)3)14(4,12)13;1-8(2)10-5-6-11(9(3)7-10)14(4,12)13;1-8(2)10-6-4-5-9(3)7-10/h8-11H,3H2,1-2,4-7H3;7-10H,1-6H3;5-7,9,15H,8H2,1-4H3;6-7,9-10H,8H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;5-8,10,14H,9H2,1-4H3;4-7,10,14H,3,8-9H2,1-2H3;6-7,9-10H,5,8H2,1-4H3;7-10H,5-6H2,1-4H3;5-7,9,13H,4,8H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3
InChIKeyRTCBJSSLHAGOLI-UHFFFAOYSA-N
XLogP50.47
TPSA356.39 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds46
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003361.81
LogP ≤ 550.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (CID 160720943) is 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is C=C(OC)C(C)(C)c1ccc(C(C)C)cc1OC.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(CC(C)(C)O)c(F)c1.CC(C)c1ccc(OCC(C)(C)O)cc1.CC(C)c1ccc(S(=O)(=O)C2CCOC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CCCOc1ccc(C(C)C)cc1C.CCOc1cc(C(C)C)ccc1CC.CCOc1ccc(C(C)C)cc1CO.COCC#Cc1ccc(C(C)C)cc1F.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(S(C)(=O)=O)ccc1C(C)C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1cccc(C(C)C)c1.
What is the InChIKey of 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is RTCBJSSLHAGOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.C14H22O2.C13H19FO.C13H15FO.C13H19NO2S.C13H18O3S.C13H20O2.C13H18O.2C13H20O.C12H18O2.C11H13F3.C11H16O3S.2C11H16O2S.C10H14/c1-11(2)13-8-9-14(15(10-13)18-7)16(4,5)12(3)17-6;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-9(2)10-5-6-11(12(14)7-10)8-13(3,4)15;1-10(2)12-7-6-11(13(14)9-12)5-4-8-15-3;1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-10(2)11-3-5-12(6-4-11)17(14,15)13-7-8-16-9-13;1-10(2)11-5-7-12(8-6-11)15-9-13(3,4)14;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;1-5-8-14-13-7-6-12(10(2)3)9-11(13)4;1-5-11-7-8-12(10(3)4)9-13(11)14-6-2;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)9-5-6-11(15(4,12)13)10(7-9)14-3;1-8(2)11-6-5-10(7-9(11)3)14(4,12)13;1-8(2)10-5-6-11(9(3)7-10)14(4,12)13;1-8(2)10-6-4-5-9(3)7-10/h8-11H,3H2,1-2,4-7H3;7-10H,1-6H3;5-7,9,15H,8H2,1-4H3;6-7,9-10H,8H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;5-8,10,14H,9H2,1-4H3;4-7,10,14H,3,8-9H2,1-2H3;6-7,9-10H,5,8H2,1-4H3;7-10H,5-6H2,1-4H3;5-7,9,13H,4,8H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3.
What are the key properties of 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine has a molecular weight of 3361.81 g/mol, XLogP of 50.47, 46 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-ethyl-4-propan-2-ylbenzene;(2-ethoxy-5-propan-2-ylphenyl)methanol;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methoxy-2-methylbut-3-en-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-1-(4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol;3-(4-propan-2-ylphenyl)sulfonyloxolane;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 160720943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).