1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol

C186H257Cl2F23O24S — CID 158656038

IUPAC1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol
SMILESC=S(=O)(c1ccc(C(C)C)cc1)C(F)F.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(OCC(C)(C)O)c(Cl)c1.CC(C)c1ccc(OCC(F)(F)C(F)F)c(Cl)c1.CCc1cc(C(C)C)ccc1OCC(C)(C)O.COc1cc(C(C)C)ccc1OC(C)C(F)(F)F.COc1cc(C(C)C)ccc1OCC(C)(C)F.COc1cc(C(C)C)ccc1OCC(F)(F)C(F)F.COc1cc(C(C)C)ccc1OCC1(C(F)(F)F)CC1.COc1cc(C(C)C)ccc1OCC1CCCO1.COc1cc(C(C)C)ccc1OCCC(F)(F)F.Cc1cc(C(C)C)ccc1OC(C)C.Cc1cc(C(C)C)ccc1OCC(C)(C)O.Cc1cc(C(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3O2.C15H22O3.C15H24O2.C14H21FO2.C14H22O2.C13H19ClO2.C13H16F4O2.2C13H17F3O2.C13H18O.C13H20O.C12H13ClF4O.C12H15F3O.C11H14F2OS/c1-10(2)11-4-5-12(13(8-11)19-3)20-9-14(6-7-14)15(16,17)18;1-11(2)12-6-7-14(15(9-12)16-3)18-10-13-5-4-8-17-13;1-6-12-9-13(11(2)3)7-8-14(12)17-10-15(4,5)16;1-10(2)11-6-7-12(13(8-11)16-5)17-9-14(3,4)15;1-10(2)12-6-7-13(11(3)8-12)16-9-14(4,5)15;1-9(2)10-5-6-12(11(14)7-10)16-8-13(3,4)15;1-8(2)9-4-5-10(11(6-9)18-3)19-7-13(16,17)12(14)15;1-8(2)10-5-6-11(12(7-10)17-4)18-9(3)13(14,15)16;1-9(2)10-4-5-11(12(8-10)17-3)18-7-6-13(14,15)16;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-7(2)8-3-4-10(9(13)5-8)18-6-12(16,17)11(14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-8(2)9-4-6-10(7-5-9)15(3,14)11(12)13/h4-5,8,10H,6-7,9H2,1-3H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;7-9,11,16H,6,10H2,1-5H3;6-8,10H,9H2,1-5H3;6-8,10,15H,9H2,1-5H3;5-7,9,15H,8H2,1-4H3;4-6,8,12H,7H2,1-3H3;5-9H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-7,10,14H,3,8-9H2,1-2H3;6-10H,1-5H3;3-5,7,11H,6H2,1-2H3;4-6,8H,7H2,1-3H3;4-8,11H,3H2,1-2H3
InChIKeyICDNMBJWSGEFBC-UHFFFAOYSA-N
MW3417.00 g/mol
LogP53.66
Rot. Bonds59

About 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol

1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol (PubChem CID 158656038) has the molecular formula C186H257Cl2F23O24S and a molecular weight of 3417.00 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol
PubChem CID158656038
Molecular FormulaC186H257Cl2F23O24S
Molecular Weight3417.00 g/mol
Exact Mass3413.76
IUPAC Name1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol
SMILESC=S(=O)(c1ccc(C(C)C)cc1)C(F)F.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(OCC(C)(C)O)c(Cl)c1.CC(C)c1ccc(OCC(F)(F)C(F)F)c(Cl)c1.CCc1cc(C(C)C)ccc1OCC(C)(C)O.COc1cc(C(C)C)ccc1OC(C)C(F)(F)F.COc1cc(C(C)C)ccc1OCC(C)(C)F.COc1cc(C(C)C)ccc1OCC(F)(F)C(F)F.COc1cc(C(C)C)ccc1OCC1(C(F)(F)F)CC1.COc1cc(C(C)C)ccc1OCC1CCCO1.COc1cc(C(C)C)ccc1OCCC(F)(F)F.Cc1cc(C(C)C)ccc1OC(C)C.Cc1cc(C(C)C)ccc1OCC(C)(C)O.Cc1cc(C(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3O2.C15H22O3.C15H24O2.C14H21FO2.C14H22O2.C13H19ClO2.C13H16F4O2.2C13H17F3O2.C13H18O.C13H20O.C12H13ClF4O.C12H15F3O.C11H14F2OS/c1-10(2)11-4-5-12(13(8-11)19-3)20-9-14(6-7-14)15(16,17)18;1-11(2)12-6-7-14(15(9-12)16-3)18-10-13-5-4-8-17-13;1-6-12-9-13(11(2)3)7-8-14(12)17-10-15(4,5)16;1-10(2)11-6-7-12(13(8-11)16-5)17-9-14(3,4)15;1-10(2)12-6-7-13(11(3)8-12)16-9-14(4,5)15;1-9(2)10-5-6-12(11(14)7-10)16-8-13(3,4)15;1-8(2)9-4-5-10(11(6-9)18-3)19-7-13(16,17)12(14)15;1-8(2)10-5-6-11(12(7-10)17-4)18-9(3)13(14,15)16;1-9(2)10-4-5-11(12(8-10)17-3)18-7-6-13(14,15)16;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-7(2)8-3-4-10(9(13)5-8)18-6-12(16,17)11(14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-8(2)9-4-6-10(7-5-9)15(3,14)11(12)13/h4-5,8,10H,6-7,9H2,1-3H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;7-9,11,16H,6,10H2,1-5H3;6-8,10H,9H2,1-5H3;6-8,10,15H,9H2,1-5H3;5-7,9,15H,8H2,1-4H3;4-6,8,12H,7H2,1-3H3;5-9H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-7,10,14H,3,8-9H2,1-2H3;6-10H,1-5H3;3-5,7,11H,6H2,1-2H3;4-6,8H,7H2,1-3H3;4-8,11H,3H2,1-2H3
InChIKeyICDNMBJWSGEFBC-UHFFFAOYSA-N
XLogP53.66
TPSA273.36 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds59
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003417.00
LogP ≤ 553.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol (CID 158656038) is 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol is C=S(=O)(c1ccc(C(C)C)cc1)C(F)F.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(OCC(C)(C)O)c(Cl)c1.CC(C)c1ccc(OCC(F)(F)C(F)F)c(Cl)c1.CCc1cc(C(C)C)ccc1OCC(C)(C)O.COc1cc(C(C)C)ccc1OC(C)C(F)(F)F.COc1cc(C(C)C)ccc1OCC(C)(C)F.COc1cc(C(C)C)ccc1OCC(F)(F)C(F)F.COc1cc(C(C)C)ccc1OCC1(C(F)(F)F)CC1.COc1cc(C(C)C)ccc1OCC1CCCO1.COc1cc(C(C)C)ccc1OCCC(F)(F)F.Cc1cc(C(C)C)ccc1OC(C)C.Cc1cc(C(C)C)ccc1OCC(C)(C)O.Cc1cc(C(C)C)ccc1OCC(F)(F)F.
What is the InChIKey of 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol?
The InChIKey is ICDNMBJWSGEFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2.C15H22O3.C15H24O2.C14H21FO2.C14H22O2.C13H19ClO2.C13H16F4O2.2C13H17F3O2.C13H18O.C13H20O.C12H13ClF4O.C12H15F3O.C11H14F2OS/c1-10(2)11-4-5-12(13(8-11)19-3)20-9-14(6-7-14)15(16,17)18;1-11(2)12-6-7-14(15(9-12)16-3)18-10-13-5-4-8-17-13;1-6-12-9-13(11(2)3)7-8-14(12)17-10-15(4,5)16;1-10(2)11-6-7-12(13(8-11)16-5)17-9-14(3,4)15;1-10(2)12-6-7-13(11(3)8-12)16-9-14(4,5)15;1-9(2)10-5-6-12(11(14)7-10)16-8-13(3,4)15;1-8(2)9-4-5-10(11(6-9)18-3)19-7-13(16,17)12(14)15;1-8(2)10-5-6-11(12(7-10)17-4)18-9(3)13(14,15)16;1-9(2)10-4-5-11(12(8-10)17-3)18-7-6-13(14,15)16;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-7(2)8-3-4-10(9(13)5-8)18-6-12(16,17)11(14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-8(2)9-4-6-10(7-5-9)15(3,14)11(12)13/h4-5,8,10H,6-7,9H2,1-3H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;7-9,11,16H,6,10H2,1-5H3;6-8,10H,9H2,1-5H3;6-8,10,15H,9H2,1-5H3;5-7,9,15H,8H2,1-4H3;4-6,8,12H,7H2,1-3H3;5-9H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-7,10,14H,3,8-9H2,1-2H3;6-10H,1-5H3;3-5,7,11H,6H2,1-2H3;4-6,8H,7H2,1-3H3;4-8,11H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol?
1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol has a molecular weight of 3417.00 g/mol, XLogP of 53.66, 59 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;2-chloro-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;difluoromethyl-methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2-ethyl-4-propan-2-ylphenoxy)-2-methylpropan-2-ol;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-[(2-methoxy-4-propan-2-ylphenoxy)methyl]oxolane;2-methoxy-4-propan-2-yl-1-(2,2,3,3-tetrafluoropropoxy)benzene;2-methoxy-4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzene;2-methoxy-4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)benzene;2-methoxy-4-propan-2-yl-1-(3,3,3-trifluoropropoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 158656038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).