1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide

C148H205Cl2F10N5O11 — CID 158996079

IUPAC1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
SMILESCC(C)(C)c1cc(Cl)cc(OCC2CC2)c1.CC(C)(C)c1cc(F)cc(NCC2CC2)c1.CC(C)(C)c1ccc(=O)n(C(F)F)c1.CC(C)(C)c1ccc(=O)n(CC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCCN2CCOCC2)c1.CC(C)(C)c1cccc(OC(F)F)c1.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.[2H]C([2H])(CC)Oc1cc(F)cc(C(C)(C)C)c1.[2H]C([2H])(Oc1cc(C(C)(C)C)ccc1F)C1CC1.[2H]C([2H])(Oc1cc(F)cc(C(C)(C)C)c1)C1CC1
InChIInChI=1S/C16H24FNO2.C15H20FNO.2C14H19ClO.C14H20FN.2C14H19FO.C13H19FO.C13H19NO.C11H14F2O.C10H13F2NO/c1-16(2,3)13-4-5-14(17)15(12-13)20-11-8-18-6-9-19-10-7-18;1-15(2,3)11-7-8-12(16)13(9-11)17(4)14(18)10-5-6-10;1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;2*1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-5-6-15-12-8-10(13(2,3)4)7-11(14)9-12;1-13(2,3)11-6-7-12(15)14(9-11)8-10-4-5-10;1-11(2,3)8-5-4-6-9(7-8)14-10(12)13;1-10(2,3)7-4-5-8(14)13(6-7)9(11)12/h4-5,12H,6-11H2,1-3H3;7-10H,5-6H2,1-4H3;2*6-8,10H,4-5,9H2,1-3H3;6-8,10,16H,4-5,9H2,1-3H3;2*6-8,10H,4-5,9H2,1-3H3;7-9H,5-6H2,1-4H3;6-7,9-10H,4-5,8H2,1-3H3;4-7,10H,1-3H3;4-6,9H,1-3H3/i;;;;;2*9D2;6D2;;;
InChIKeyJQTHSVNZVCRFNL-CXDPHJOGSA-N
MW2497.21 g/mol
LogP39.55
Rot. Bonds29

About 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide

1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide (PubChem CID 158996079) has the molecular formula C148H205Cl2F10N5O11 and a molecular weight of 2497.21 g/mol. Its IUPAC name is 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
PubChem CID158996079
Molecular FormulaC148H205Cl2F10N5O11
Molecular Weight2497.21 g/mol
Exact Mass2494.52
IUPAC Name1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
SMILESCC(C)(C)c1cc(Cl)cc(OCC2CC2)c1.CC(C)(C)c1cc(F)cc(NCC2CC2)c1.CC(C)(C)c1ccc(=O)n(C(F)F)c1.CC(C)(C)c1ccc(=O)n(CC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCCN2CCOCC2)c1.CC(C)(C)c1cccc(OC(F)F)c1.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.[2H]C([2H])(CC)Oc1cc(F)cc(C(C)(C)C)c1.[2H]C([2H])(Oc1cc(C(C)(C)C)ccc1F)C1CC1.[2H]C([2H])(Oc1cc(F)cc(C(C)(C)C)c1)C1CC1
InChIInChI=1S/C16H24FNO2.C15H20FNO.2C14H19ClO.C14H20FN.2C14H19FO.C13H19FO.C13H19NO.C11H14F2O.C10H13F2NO/c1-16(2,3)13-4-5-14(17)15(12-13)20-11-8-18-6-9-19-10-7-18;1-15(2,3)11-7-8-12(16)13(9-11)17(4)14(18)10-5-6-10;1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;2*1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-5-6-15-12-8-10(13(2,3)4)7-11(14)9-12;1-13(2,3)11-6-7-12(15)14(9-11)8-10-4-5-10;1-11(2,3)8-5-4-6-9(7-8)14-10(12)13;1-10(2,3)7-4-5-8(14)13(6-7)9(11)12/h4-5,12H,6-11H2,1-3H3;7-10H,5-6H2,1-4H3;2*6-8,10H,4-5,9H2,1-3H3;6-8,10,16H,4-5,9H2,1-3H3;2*6-8,10H,4-5,9H2,1-3H3;7-9H,5-6H2,1-4H3;6-7,9-10H,4-5,8H2,1-3H3;4-7,10H,1-3H3;4-6,9H,1-3H3/i;;;;;2*9D2;6D2;;;
InChIKeyJQTHSVNZVCRFNL-CXDPHJOGSA-N
XLogP39.55
TPSA153.42 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002497.21
LogP ≤ 539.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide with MolForge

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Related Compounds

1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-(5-tert-butyl-2-fluorophenyl)piperazine
CID 158798156
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]piperidine;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine
CID 158931321
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 159054769
(3-tert-butyl-5-chlorophenyl) cyclopropanecarboxylate;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]piperidine;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
CID 159084316
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 159433115
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine
CID 159934793
4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol
CID 160195627
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine
CID 160810892
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]piperidine;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
CID 161022741
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine
CID 162025958
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
CID 162120998

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide?
The IUPAC name of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide (CID 158996079) is 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide.
What is the SMILES notation for 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide?
The canonical SMILES for 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide is CC(C)(C)c1cc(Cl)cc(OCC2CC2)c1.CC(C)(C)c1cc(F)cc(NCC2CC2)c1.CC(C)(C)c1ccc(=O)n(C(F)F)c1.CC(C)(C)c1ccc(=O)n(CC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCCN2CCOCC2)c1.CC(C)(C)c1cccc(OC(F)F)c1.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.[2H]C([2H])(CC)Oc1cc(F)cc(C(C)(C)C)c1.[2H]C([2H])(Oc1cc(C(C)(C)C)ccc1F)C1CC1.[2H]C([2H])(Oc1cc(F)cc(C(C)(C)C)c1)C1CC1.
What is the InChIKey of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide?
The InChIKey is JQTHSVNZVCRFNL-CXDPHJOGSA-N. The full InChI is InChI=1S/C16H24FNO2.C15H20FNO.2C14H19ClO.C14H20FN.2C14H19FO.C13H19FO.C13H19NO.C11H14F2O.C10H13F2NO/c1-16(2,3)13-4-5-14(17)15(12-13)20-11-8-18-6-9-19-10-7-18;1-15(2,3)11-7-8-12(16)13(9-11)17(4)14(18)10-5-6-10;1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;2*1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-5-6-15-12-8-10(13(2,3)4)7-11(14)9-12;1-13(2,3)11-6-7-12(15)14(9-11)8-10-4-5-10;1-11(2,3)8-5-4-6-9(7-8)14-10(12)13;1-10(2,3)7-4-5-8(14)13(6-7)9(11)12/h4-5,12H,6-11H2,1-3H3;7-10H,5-6H2,1-4H3;2*6-8,10H,4-5,9H2,1-3H3;6-8,10,16H,4-5,9H2,1-3H3;2*6-8,10H,4-5,9H2,1-3H3;7-9H,5-6H2,1-4H3;6-7,9-10H,4-5,8H2,1-3H3;4-7,10H,1-3H3;4-6,9H,1-3H3/i;;;;;2*9D2;6D2;;;.
What are the key properties of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide?
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide has a molecular weight of 2497.21 g/mol, XLogP of 39.55, 29 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 158996079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).