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

C174H226Cl4F3NO11 — CID 159639477

IUPAC7-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
SMILESCC(C)c1cc2c(cc1Cl)OCCC2.CC(C)c1cc2c(cc1F)OCCC2.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc2c(c1)C(C)CCO2.CC(C)c1ccc2c(c1)C(F)(F)CCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1Cl)CCCC2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1cccc2cc[nH]c12.Cc1c(C(C)C)ccc2c1CCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc2c(cc1C(C)C)CCCO2
InChIInChI=1S/2C14H20O.C14H20.C13H17Cl.2C13H18O.2C12H15ClO.C12H14F2O.C12H15FO.C12H16O.C11H11ClO.C11H13N.C11H14O/c2*1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-10(2)13-9-8-12-6-4-5-7-14(12)11(13)3;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-9(2)11-4-5-13-12(8-11)10(3)6-7-14-13;1-9(2)12-8-11-5-4-6-14-13(11)7-10(12)3;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13;1-8(2)9-3-4-11-10(7-9)12(13,14)5-6-15-11;1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h2*8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;4-5,8-10H,6-7H2,1-3H3;7-9H,4-6H2,1-3H3;4-5,7-8H,6H2,1-3H3;6-8H,3-5H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6-8H,3-5H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3
InChIKeyMQDYPDMMHQDHFK-UHFFFAOYSA-N
MW2706.52 g/mol
LogP51.07
Rot. Bonds14

About 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

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 (PubChem CID 159639477) has the molecular formula C174H226Cl4F3NO11 and a molecular weight of 2706.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID159639477
Molecular FormulaC174H226Cl4F3NO11
Molecular Weight2706.52 g/mol
Exact Mass2702.59
IUPAC Name7-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
SMILESCC(C)c1cc2c(cc1Cl)OCCC2.CC(C)c1cc2c(cc1F)OCCC2.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc2c(c1)C(C)CCO2.CC(C)c1ccc2c(c1)C(F)(F)CCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1Cl)CCCC2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1cccc2cc[nH]c12.Cc1c(C(C)C)ccc2c1CCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc2c(cc1C(C)C)CCCO2
InChIInChI=1S/2C14H20O.C14H20.C13H17Cl.2C13H18O.2C12H15ClO.C12H14F2O.C12H15FO.C12H16O.C11H11ClO.C11H13N.C11H14O/c2*1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-10(2)13-9-8-12-6-4-5-7-14(12)11(13)3;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-9(2)11-4-5-13-12(8-11)10(3)6-7-14-13;1-9(2)12-8-11-5-4-6-14-13(11)7-10(12)3;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13;1-8(2)9-3-4-11-10(7-9)12(13,14)5-6-15-11;1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h2*8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;4-5,8-10H,6-7H2,1-3H3;7-9H,4-6H2,1-3H3;4-5,7-8H,6H2,1-3H3;6-8H,3-5H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6-8H,3-5H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3
InChIKeyMQDYPDMMHQDHFK-UHFFFAOYSA-N
XLogP51.07
TPSA121.23 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002706.52
LogP ≤ 551.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 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
5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;5-chloro-4-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;5-chloro-4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;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;4-ethyl-5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 158741656
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
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-Tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline
CID 158596146
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc2c(cc1Cl)OCCC2.CC(C)c1cc2c(cc1F)OCCC2.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc2c(c1)C(C)CCO2.CC(C)c1ccc2c(c1)C(F)(F)CCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1Cl)CCCC2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1cccc2cc[nH]c12.Cc1c(C(C)C)ccc2c1CCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc2c(cc1C(C)C)CCCO2.
What is the InChIKey of 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?
The InChIKey is MQDYPDMMHQDHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H20O.C14H20.C13H17Cl.2C13H18O.2C12H15ClO.C12H14F2O.C12H15FO.C12H16O.C11H11ClO.C11H13N.C11H14O/c2*1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-10(2)13-9-8-12-6-4-5-7-14(12)11(13)3;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-9(2)11-4-5-13-12(8-11)10(3)6-7-14-13;1-9(2)12-8-11-5-4-6-14-13(11)7-10(12)3;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13;1-8(2)9-3-4-11-10(7-9)12(13,14)5-6-15-11;1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h2*8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;4-5,8-10H,6-7H2,1-3H3;7-9H,4-6H2,1-3H3;4-5,7-8H,6H2,1-3H3;6-8H,3-5H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6-8H,3-5H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2706.52 g/mol, XLogP of 51.07, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159639477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).