6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole

C185H224Cl7F2NO13 — CID 161197002

IUPAC6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole
SMILESCC(C)c1cc2c(cc1Cl)CCC2.CC(C)c1cc2c(cc1Cl)OCC2(C)C.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc2c(c1)C(C)CO2.CC(C)c1ccc2c(c1)C(F)(F)CCO2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1Cl)CCO2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.Cc1c(C(C)C)ccc2c1CCO2
InChIInChI=1S/C13H17ClO.C12H15ClO.C12H15Cl.C12H14F2O.3C12H16O.C12H16.C11H11ClO.C11H13ClO.2C11H11ClO.C11H13N.C11H14O.C11H12O.C11H14O/c1-8(2)9-5-10-12(6-11(9)14)15-7-13(10,3)4;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-8(2)11-6-9-4-3-5-10(9)7-12(11)13;1-8(2)9-3-4-11-10(7-9)12(13,14)5-6-15-11;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)10-4-5-12-11(9(10)3)6-7-13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;2*1-7(2)8-3-4-10-9(11(8)12)5-6-13-10;1-7(2)9-4-3-8-5-6-13-11(8)10(9)12;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-6,8H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3;6-8H,3-5H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-7H,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-7H,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3
InChIKeyUUMACBXSGNQFOW-UHFFFAOYSA-N
MW2955.99 g/mol
LogP56.89
Rot. Bonds16

About 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole

6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole (PubChem CID 161197002) has the molecular formula C185H224Cl7F2NO13 and a molecular weight of 2955.99 g/mol. Its IUPAC name is 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole.

Molecular Properties

Compound Name6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole
PubChem CID161197002
Molecular FormulaC185H224Cl7F2NO13
Molecular Weight2955.99 g/mol
Exact Mass2950.47
IUPAC Name6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole
SMILESCC(C)c1cc2c(cc1Cl)CCC2.CC(C)c1cc2c(cc1Cl)OCC2(C)C.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc2c(c1)C(C)CO2.CC(C)c1ccc2c(c1)C(F)(F)CCO2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1Cl)CCO2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.Cc1c(C(C)C)ccc2c1CCO2
InChIInChI=1S/C13H17ClO.C12H15ClO.C12H15Cl.C12H14F2O.3C12H16O.C12H16.C11H11ClO.C11H13ClO.2C11H11ClO.C11H13N.C11H14O.C11H12O.C11H14O/c1-8(2)9-5-10-12(6-11(9)14)15-7-13(10,3)4;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-8(2)11-6-9-4-3-5-10(9)7-12(11)13;1-8(2)9-3-4-11-10(7-9)12(13,14)5-6-15-11;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)10-4-5-12-11(9(10)3)6-7-13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;2*1-7(2)8-3-4-10-9(11(8)12)5-6-13-10;1-7(2)9-4-3-8-5-6-13-11(8)10(9)12;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-6,8H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3;6-8H,3-5H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-7H,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-7H,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3
InChIKeyUUMACBXSGNQFOW-UHFFFAOYSA-N
XLogP56.89
TPSA151.42 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002955.99
LogP ≤ 556.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole with MolForge

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Related Compounds

5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;8-chloro-1-ethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-1-methyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;7-chloro-6-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;1-chloro-2-propan-2-ylnaphthalene;4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-ethyl-8-methyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;bis(5-methyl-8-propan-2-ylquinoline);8-methyl-7-propan-2-yl-1,2,3,4-tetrahydroquinoline;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline
CID 158727880
7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);7-fluoro-6-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-methyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1H-indole
CID 159639477
5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;8-chloro-1-ethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-1-methyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;7-chloro-6-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-ethyl-8-methyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;bis(5-methyl-8-propan-2-ylquinoline);8-methyl-7-propan-2-yl-1,2,3,4-tetrahydroquinoline;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline
CID 161217142
1-chloro-2-[(E)-3-methylbut-1-enyl]benzene;1-chloro-3-[(E)-3-methylbut-1-enyl]benzene;1-chloro-4-[(E)-3-methylbut-1-enyl]benzene;1-fluoro-2-[(E)-3-methylbut-1-enyl]benzene;1-fluoro-3-[(E)-3-methylbut-1-enyl]benzene;1-fluoro-4-[(E)-3-methylbut-1-enyl]benzene;1-methoxy-2-[(E)-3-methylbut-1-enyl]benzene;1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;[(E)-3-methylbut-1-enyl]benzene;2-[(E)-3-methylbut-1-enyl]furan;3-[(E)-3-methylbut-1-enyl]-1H-indole;2-[(E)-3-methylbut-1-enyl]pyridine;3-[(E)-3-methylbut-1-enyl]pyridine;4-[(E)-3-methylbut-1-enyl]pyridine;2-[(E)-3-methylbut-1-enyl]-1H-pyrrole;1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene
CID 159351868
2-(7-Chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 160694898
7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;5-chloro-6-propan-2-yl-3,4-dihydro-2H-chromene;7-chloro-6-propan-2-yl-3,4-dihydro-2H-chromene;4-chloro-5-propan-2-yl-1H-indene;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);4-fluoro-4-methyl-6-propan-2-yl-2,3-dihydrochromene;methane;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;7-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1H-indole
CID 160942354

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole?
The IUPAC name of 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole (CID 161197002) is 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole.
What is the SMILES notation for 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole?
The canonical SMILES for 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole is CC(C)c1cc2c(cc1Cl)CCC2.CC(C)c1cc2c(cc1Cl)OCC2(C)C.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc2c(c1)C(C)CO2.CC(C)c1ccc2c(c1)C(F)(F)CCO2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1Cl)CCO2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.Cc1c(C(C)C)ccc2c1CCO2.
What is the InChIKey of 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole?
The InChIKey is UUMACBXSGNQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO.C12H15ClO.C12H15Cl.C12H14F2O.3C12H16O.C12H16.C11H11ClO.C11H13ClO.2C11H11ClO.C11H13N.C11H14O.C11H12O.C11H14O/c1-8(2)9-5-10-12(6-11(9)14)15-7-13(10,3)4;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-8(2)11-6-9-4-3-5-10(9)7-12(11)13;1-8(2)9-3-4-11-10(7-9)12(13,14)5-6-15-11;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)10-4-5-12-11(9(10)3)6-7-13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;2*1-7(2)8-3-4-10-9(11(8)12)5-6-13-10;1-7(2)9-4-3-8-5-6-13-11(8)10(9)12;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-6,8H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3;6-8H,3-5H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-7H,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-7H,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole?
6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole has a molecular weight of 2955.99 g/mol, XLogP of 56.89, 16 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole is sourced from PubChem (CID 161197002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).