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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline

C166H198Cl5N5O9S — CID 162163071

IUPAC7-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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline
SMILESCC(C)c1cc2c(s1)CCC2.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc(Cl)c2cccnc12.CC(C)c1ccc2c(c1)C(C)(C)CO2.CC(C)c1ccc2c(c1)C(C)CO2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.COc1c(C(C)C)ccc2c1CCCO2.Cc1c(C(C)C)ccc2c1CCO2.Cc1ccc(C(C)C)c2ncccc12.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/2C13H15N.C13H18O2.C13H18O.C12H12ClN.C12H15ClO.C12H13N.2C12H16O.3C11H11ClO.C11H13N.C10H14S/c1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12;1-9(2)11-5-4-6-12-10(3)7-8-14-13(11)12;1-9(2)10-6-7-12-11(13(10)14-3)5-4-8-15-12;1-9(2)10-5-6-12-11(7-10)13(3,4)8-14-12;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-9(2)11-7-3-5-10-6-4-8-13-12(10)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;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;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;1-7(2)10-6-8-4-3-5-9(8)11-10/h2*4-9H,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7,9H,8H2,1-4H3;3-8H,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;4-6,8-9H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;3*3-7H,1-2H3;3-8,12H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyZMTFGAZESRAGLA-UHFFFAOYSA-N
MW2616.77 g/mol
LogP50.93
Rot. Bonds15

About 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline

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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline (PubChem CID 162163071) has the molecular formula C166H198Cl5N5O9S and a molecular weight of 2616.77 g/mol. Its IUPAC name is 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline.

Molecular Properties

Compound Name7-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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline
PubChem CID162163071
Molecular FormulaC166H198Cl5N5O9S
Molecular Weight2616.77 g/mol
Exact Mass2612.34
IUPAC Name7-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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline
SMILESCC(C)c1cc2c(s1)CCC2.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc(Cl)c2cccnc12.CC(C)c1ccc2c(c1)C(C)(C)CO2.CC(C)c1ccc2c(c1)C(C)CO2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.COc1c(C(C)C)ccc2c1CCCO2.Cc1c(C(C)C)ccc2c1CCO2.Cc1ccc(C(C)C)c2ncccc12.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/2C13H15N.C13H18O2.C13H18O.C12H12ClN.C12H15ClO.C12H13N.2C12H16O.3C11H11ClO.C11H13N.C10H14S/c1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12;1-9(2)11-5-4-6-12-10(3)7-8-14-13(11)12;1-9(2)10-6-7-12-11(13(10)14-3)5-4-8-15-12;1-9(2)10-5-6-12-11(7-10)13(3,4)8-14-12;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-9(2)11-7-3-5-10-6-4-8-13-12(10)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;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;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;1-7(2)10-6-8-4-3-5-9(8)11-10/h2*4-9H,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7,9H,8H2,1-4H3;3-8H,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;4-6,8-9H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;3*3-7H,1-2H3;3-8,12H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyZMTFGAZESRAGLA-UHFFFAOYSA-N
XLogP50.93
TPSA162.15 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002616.77
LogP ≤ 550.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline?
The IUPAC name of 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline (CID 162163071) is 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline.
What is the SMILES notation for 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline?
The canonical SMILES for 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline is CC(C)c1cc2c(s1)CCC2.CC(C)c1cc2ccoc2cc1Cl.CC(C)c1ccc(Cl)c2cccnc12.CC(C)c1ccc2c(c1)C(C)(C)CO2.CC(C)c1ccc2c(c1)C(C)CO2.CC(C)c1ccc2c(c1Cl)OCC2C.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.COc1c(C(C)C)ccc2c1CCCO2.Cc1c(C(C)C)ccc2c1CCO2.Cc1ccc(C(C)C)c2ncccc12.Cc1ccnc2c(C(C)C)cccc12.
What is the InChIKey of 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline?
The InChIKey is ZMTFGAZESRAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.C13H18O2.C13H18O.C12H12ClN.C12H15ClO.C12H13N.2C12H16O.3C11H11ClO.C11H13N.C10H14S/c1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12;1-9(2)11-5-4-6-12-10(3)7-8-14-13(11)12;1-9(2)10-6-7-12-11(13(10)14-3)5-4-8-15-12;1-9(2)10-5-6-12-11(7-10)13(3,4)8-14-12;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-7(2)9-4-5-10-8(3)6-14-12(10)11(9)13;1-9(2)11-7-3-5-10-6-4-8-13-12(10)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;1-7(2)9-5-8-3-4-13-11(8)6-10(9)12;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;1-7(2)10-6-8-4-3-5-9(8)11-10/h2*4-9H,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7,9H,8H2,1-4H3;3-8H,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;4-6,8-9H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;3*3-7H,1-2H3;3-8,12H,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline?
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;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline has a molecular weight of 2616.77 g/mol, XLogP of 50.93, 15 rotatable bonds, 1 hydrogen bond donors, and 14 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;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;7-propan-2-yl-1H-indole;8-propan-2-ylquinoline is sourced from PubChem (CID 162163071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).