1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine

C240H353ClF3N5O11 — CID 158942881

IUPAC1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine
SMILESCC(C)C1(C2CCCCO2)CC1.CC(C)C1(Cc2cccc(Cl)c2)CCCC1.CC(C)C1(Cc2cccnc2)CC1.CC(C)C1(c2ccc(C(C)(C)C)cc2)CCC1.CC(C)C1(c2ccc3c(c2)OCO3)CCCCC1.CC(C)C1(c2ccccc2)CC(O)C1.CC(C)C1(c2ccccc2)CC1.CC(C)C1(c2ccccc2)CCC1.CC(C)C1(c2ccccc2F)CC1.CC(C)C1(c2ccccn2)CC2(CCC2)C1.CC(C)C1(c2nccc3ccccc23)CC1.CC(C)C1C2COCC21.CC(C)C1CC1c1ccccc1.CC(C)C1CC2CCC(C1)O2.CC(C)C1CCOCC1.CC(C)C1COc2ccccc2O1.CC(C)N1CCCC1.CC(C)N1CCOCC1.COc1cccc(C2(C(C)C)CC2)c1.Cc1cccc(C2(C(C)C)CC2(F)F)c1
InChIInChI=1S/C17H26.C16H22O2.C15H21Cl.C15H21N.C15H17N.C13H16F2.2C13H18O.C13H18.C12H15F.C12H17N.2C12H16.C11H14O2.C11H20O.C10H18O.C8H14O.C8H16O.C7H15NO.C7H15N/c1-13(2)17(11-6-12-17)15-9-7-14(8-10-15)16(3,4)5;1-12(2)16(8-4-3-5-9-16)13-6-7-14-15(10-13)18-11-17-14;1-12(2)15(8-3-4-9-15)11-13-6-5-7-14(16)10-13;1-12(2)15(13-6-3-4-9-16-13)10-14(11-15)7-5-8-14;1-11(2)15(8-9-15)14-13-6-4-3-5-12(13)7-10-16-14;1-9(2)12(8-13(12,14)15)11-6-4-5-10(3)7-11;1-10(2)13(7-8-13)11-5-4-6-12(9-11)14-3;1-10(2)13(8-12(14)9-13)11-6-4-3-5-7-11;1-11(2)13(9-6-10-13)12-7-4-3-5-8-12;1-9(2)12(7-8-12)10-5-3-4-6-11(10)13;1-10(2)12(5-6-12)8-11-4-3-7-13-9-11;1-10(2)12(8-9-12)11-6-4-3-5-7-11;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-9(2)11(6-7-11)10-5-3-4-8-12-10;1-7(2)8-5-9-3-4-10(6-8)11-9;1-5(2)8-6-3-9-4-7(6)8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h7-10,13H,6,11-12H2,1-5H3;6-7,10,12H,3-5,8-9,11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;3-4,6,9,12H,5,7-8,10-11H2,1-2H3;3-7,10-11H,8-9H2,1-2H3;4-7,9H,8H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;3-7,10,12,14H,8-9H2,1-2H3;3-5,7-8,11H,6,9-10H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;7-10H,3-6H2,1-2H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJKLWUWXMJPRDHN-UHFFFAOYSA-N
MW3576.93 g/mol
LogP63.40
Rot. Bonds37

About 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine

1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine (PubChem CID 158942881) has the molecular formula C240H353ClF3N5O11 and a molecular weight of 3576.93 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine
PubChem CID158942881
Molecular FormulaC240H353ClF3N5O11
Molecular Weight3576.93 g/mol
Exact Mass3573.69
IUPAC Name1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine
SMILESCC(C)C1(C2CCCCO2)CC1.CC(C)C1(Cc2cccc(Cl)c2)CCCC1.CC(C)C1(Cc2cccnc2)CC1.CC(C)C1(c2ccc(C(C)(C)C)cc2)CCC1.CC(C)C1(c2ccc3c(c2)OCO3)CCCCC1.CC(C)C1(c2ccccc2)CC(O)C1.CC(C)C1(c2ccccc2)CC1.CC(C)C1(c2ccccc2)CCC1.CC(C)C1(c2ccccc2F)CC1.CC(C)C1(c2ccccn2)CC2(CCC2)C1.CC(C)C1(c2nccc3ccccc23)CC1.CC(C)C1C2COCC21.CC(C)C1CC1c1ccccc1.CC(C)C1CC2CCC(C1)O2.CC(C)C1CCOCC1.CC(C)C1COc2ccccc2O1.CC(C)N1CCCC1.CC(C)N1CCOCC1.COc1cccc(C2(C(C)C)CC2)c1.Cc1cccc(C2(C(C)C)CC2(F)F)c1
InChIInChI=1S/C17H26.C16H22O2.C15H21Cl.C15H21N.C15H17N.C13H16F2.2C13H18O.C13H18.C12H15F.C12H17N.2C12H16.C11H14O2.C11H20O.C10H18O.C8H14O.C8H16O.C7H15NO.C7H15N/c1-13(2)17(11-6-12-17)15-9-7-14(8-10-15)16(3,4)5;1-12(2)16(8-4-3-5-9-16)13-6-7-14-15(10-13)18-11-17-14;1-12(2)15(8-3-4-9-15)11-13-6-5-7-14(16)10-13;1-12(2)15(13-6-3-4-9-16-13)10-14(11-15)7-5-8-14;1-11(2)15(8-9-15)14-13-6-4-3-5-12(13)7-10-16-14;1-9(2)12(8-13(12,14)15)11-6-4-5-10(3)7-11;1-10(2)13(7-8-13)11-5-4-6-12(9-11)14-3;1-10(2)13(8-12(14)9-13)11-6-4-3-5-7-11;1-11(2)13(9-6-10-13)12-7-4-3-5-8-12;1-9(2)12(7-8-12)10-5-3-4-6-11(10)13;1-10(2)12(5-6-12)8-11-4-3-7-13-9-11;1-10(2)12(8-9-12)11-6-4-3-5-7-11;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-9(2)11(6-7-11)10-5-3-4-8-12-10;1-7(2)8-5-9-3-4-10(6-8)11-9;1-5(2)8-6-3-9-4-7(6)8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h7-10,13H,6,11-12H2,1-5H3;6-7,10,12H,3-5,8-9,11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;3-4,6,9,12H,5,7-8,10-11H2,1-2H3;3-7,10-11H,8-9H2,1-2H3;4-7,9H,8H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;3-7,10,12,14H,8-9H2,1-2H3;3-5,7-8,11H,6,9-10H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;7-10H,3-6H2,1-2H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJKLWUWXMJPRDHN-UHFFFAOYSA-N
XLogP63.40
TPSA157.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003576.93
LogP ≤ 563.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine?
The IUPAC name of 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine (CID 158942881) is 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine.
What is the SMILES notation for 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine?
The canonical SMILES for 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine is CC(C)C1(C2CCCCO2)CC1.CC(C)C1(Cc2cccc(Cl)c2)CCCC1.CC(C)C1(Cc2cccnc2)CC1.CC(C)C1(c2ccc(C(C)(C)C)cc2)CCC1.CC(C)C1(c2ccc3c(c2)OCO3)CCCCC1.CC(C)C1(c2ccccc2)CC(O)C1.CC(C)C1(c2ccccc2)CC1.CC(C)C1(c2ccccc2)CCC1.CC(C)C1(c2ccccc2F)CC1.CC(C)C1(c2ccccn2)CC2(CCC2)C1.CC(C)C1(c2nccc3ccccc23)CC1.CC(C)C1C2COCC21.CC(C)C1CC1c1ccccc1.CC(C)C1CC2CCC(C1)O2.CC(C)C1CCOCC1.CC(C)C1COc2ccccc2O1.CC(C)N1CCCC1.CC(C)N1CCOCC1.COc1cccc(C2(C(C)C)CC2)c1.Cc1cccc(C2(C(C)C)CC2(F)F)c1.
What is the InChIKey of 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine?
The InChIKey is JKLWUWXMJPRDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C16H22O2.C15H21Cl.C15H21N.C15H17N.C13H16F2.2C13H18O.C13H18.C12H15F.C12H17N.2C12H16.C11H14O2.C11H20O.C10H18O.C8H14O.C8H16O.C7H15NO.C7H15N/c1-13(2)17(11-6-12-17)15-9-7-14(8-10-15)16(3,4)5;1-12(2)16(8-4-3-5-9-16)13-6-7-14-15(10-13)18-11-17-14;1-12(2)15(8-3-4-9-15)11-13-6-5-7-14(16)10-13;1-12(2)15(13-6-3-4-9-16-13)10-14(11-15)7-5-8-14;1-11(2)15(8-9-15)14-13-6-4-3-5-12(13)7-10-16-14;1-9(2)12(8-13(12,14)15)11-6-4-5-10(3)7-11;1-10(2)13(7-8-13)11-5-4-6-12(9-11)14-3;1-10(2)13(8-12(14)9-13)11-6-4-3-5-7-11;1-11(2)13(9-6-10-13)12-7-4-3-5-8-12;1-9(2)12(7-8-12)10-5-3-4-6-11(10)13;1-10(2)12(5-6-12)8-11-4-3-7-13-9-11;1-10(2)12(8-9-12)11-6-4-3-5-7-11;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-9(2)11(6-7-11)10-5-3-4-8-12-10;1-7(2)8-5-9-3-4-10(6-8)11-9;1-5(2)8-6-3-9-4-7(6)8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h7-10,13H,6,11-12H2,1-5H3;6-7,10,12H,3-5,8-9,11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;3-4,6,9,12H,5,7-8,10-11H2,1-2H3;3-7,10-11H,8-9H2,1-2H3;4-7,9H,8H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;3-7,10,12,14H,8-9H2,1-2H3;3-5,7-8,11H,6,9-10H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;7-10H,3-6H2,1-2H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine?
1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine has a molecular weight of 3576.93 g/mol, XLogP of 63.40, 37 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine is sourced from PubChem (CID 158942881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).