4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran

C242H290Br2ClN3O11 — CID 161281481

IUPAC4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
SMILESC#Cc1ccccc1C(C)C.CC(C)C1c2ccccc2-c2ccccc21.CC(C)c1c2c(c(Br)c3c1CCC3)CCC2.CC(C)c1c2c(c(Br)c3c1OCC3)CCC2.CC(C)c1c2c(c(Cl)c3c1CCC3)CCC2.CC(C)c1c2c(cc3c1CCC3)CCC2.CC(C)c1c2c(cc3c1CCO3)CCC2.CC(C)c1c2c(cc3c1OCC3)CCC2.CC(C)c1c2c(cc3c1OCC3)OCC2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccoc2cc2ccoc12.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2ccoc12.CC(C)c1ccccc1N1CCOCC1.Cc1c2c(c(C(C)C)c3c1CCC3)CCC2.Cc1ccccc1C(C)C
InChIInChI=1S/C17H16.C16H22.C16H16.C15H19Br.C15H19Cl.C15H20.C14H17BrO.2C14H18O.C13H19NO.C13H16O2.C13H12O2.2C12H13N.C11H14O2.C11H12O.C11H12.C10H14/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-10(2)16-14-8-4-6-12(14)11(3)13-7-5-9-15(13)16;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-9(2)14-10-5-3-7-12(10)15(16)13-8-4-6-11(13)14;1-10(2)15-13-7-3-5-11(13)9-12-6-4-8-14(12)15;1-8(2)12-9-4-3-5-10(9)13(15)11-6-7-16-14(11)12;1-9(2)13-12-5-3-4-10(12)8-11-6-7-15-14(11)13;1-9(2)14-11-5-3-4-10(11)8-13-12(14)6-7-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;2*1-8(2)12-10-4-6-14-11(10)7-9-3-5-15-13(9)12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)10-7-5-4-6-9(10)3/h3-12H,1-2H3;10H,4-9H2,1-3H3;3-11,16H,1-2H3;2*9H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;1,5-9H,2-3H3;4-8H,1-3H3
InChIKeyVFDNITANMPEWAB-UHFFFAOYSA-N
MW3612.25 g/mol
LogP65.30
Rot. Bonds19

About 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran

4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran (PubChem CID 161281481) has the molecular formula C242H290Br2ClN3O11 and a molecular weight of 3612.25 g/mol. Its IUPAC name is 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran.

Molecular Properties

Compound Name4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
PubChem CID161281481
Molecular FormulaC242H290Br2ClN3O11
Molecular Weight3612.25 g/mol
Exact Mass3607.03
IUPAC Name4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
SMILESC#Cc1ccccc1C(C)C.CC(C)C1c2ccccc2-c2ccccc21.CC(C)c1c2c(c(Br)c3c1CCC3)CCC2.CC(C)c1c2c(c(Br)c3c1OCC3)CCC2.CC(C)c1c2c(c(Cl)c3c1CCC3)CCC2.CC(C)c1c2c(cc3c1CCC3)CCC2.CC(C)c1c2c(cc3c1CCO3)CCC2.CC(C)c1c2c(cc3c1OCC3)CCC2.CC(C)c1c2c(cc3c1OCC3)OCC2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccoc2cc2ccoc12.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2ccoc12.CC(C)c1ccccc1N1CCOCC1.Cc1c2c(c(C(C)C)c3c1CCC3)CCC2.Cc1ccccc1C(C)C
InChIInChI=1S/C17H16.C16H22.C16H16.C15H19Br.C15H19Cl.C15H20.C14H17BrO.2C14H18O.C13H19NO.C13H16O2.C13H12O2.2C12H13N.C11H14O2.C11H12O.C11H12.C10H14/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-10(2)16-14-8-4-6-12(14)11(3)13-7-5-9-15(13)16;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-9(2)14-10-5-3-7-12(10)15(16)13-8-4-6-11(13)14;1-10(2)15-13-7-3-5-11(13)9-12-6-4-8-14(12)15;1-8(2)12-9-4-3-5-10(9)13(15)11-6-7-16-14(11)12;1-9(2)13-12-5-3-4-10(12)8-11-6-7-15-14(11)13;1-9(2)14-11-5-3-4-10(11)8-13-12(14)6-7-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;2*1-8(2)12-10-4-6-14-11(10)7-9-3-5-15-13(9)12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)10-7-5-4-6-9(10)3/h3-12H,1-2H3;10H,4-9H2,1-3H3;3-11,16H,1-2H3;2*9H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;1,5-9H,2-3H3;4-8H,1-3H3
InChIKeyVFDNITANMPEWAB-UHFFFAOYSA-N
XLogP65.30
TPSA142.28 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003612.25
LogP ≤ 565.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
The IUPAC name of 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran (CID 161281481) is 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran.
What is the SMILES notation for 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
The canonical SMILES for 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran is C#Cc1ccccc1C(C)C.CC(C)C1c2ccccc2-c2ccccc21.CC(C)c1c2c(c(Br)c3c1CCC3)CCC2.CC(C)c1c2c(c(Br)c3c1OCC3)CCC2.CC(C)c1c2c(c(Cl)c3c1CCC3)CCC2.CC(C)c1c2c(cc3c1CCC3)CCC2.CC(C)c1c2c(cc3c1CCO3)CCC2.CC(C)c1c2c(cc3c1OCC3)CCC2.CC(C)c1c2c(cc3c1OCC3)OCC2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccoc2cc2ccoc12.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2ccoc12.CC(C)c1ccccc1N1CCOCC1.Cc1c2c(c(C(C)C)c3c1CCC3)CCC2.Cc1ccccc1C(C)C.
What is the InChIKey of 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
The InChIKey is VFDNITANMPEWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16.C16H22.C16H16.C15H19Br.C15H19Cl.C15H20.C14H17BrO.2C14H18O.C13H19NO.C13H16O2.C13H12O2.2C12H13N.C11H14O2.C11H12O.C11H12.C10H14/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-10(2)16-14-8-4-6-12(14)11(3)13-7-5-9-15(13)16;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-9(2)14-10-5-3-7-12(10)15(16)13-8-4-6-11(13)14;1-10(2)15-13-7-3-5-11(13)9-12-6-4-8-14(12)15;1-8(2)12-9-4-3-5-10(9)13(15)11-6-7-16-14(11)12;1-9(2)13-12-5-3-4-10(12)8-11-6-7-15-14(11)13;1-9(2)14-11-5-3-4-10(11)8-13-12(14)6-7-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;2*1-8(2)12-10-4-6-14-11(10)7-9-3-5-15-13(9)12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)10-7-5-4-6-9(10)3/h3-12H,1-2H3;10H,4-9H2,1-3H3;3-11,16H,1-2H3;2*9H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;1,5-9H,2-3H3;4-8H,1-3H3.
What are the key properties of 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran has a molecular weight of 3612.25 g/mol, XLogP of 65.30, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-bromo-8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-chloro-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;1-ethynyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;4-methyl-8-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;9-propan-2-ylanthracene;7-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;9-propan-2-yl-9H-fluorene;4-propan-2-ylfuro[2,3-f][1]benzofuran;4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacene;4-(2-propan-2-ylphenyl)morpholine;6-propan-2-ylquinoline;7-propan-2-ylquinoline;4-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;8-propan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran;4-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran is sourced from PubChem (CID 161281481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).