4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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

C190H218Cl7FN6O9S — CID 160917424

IUPAC4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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)OCC2.CC(C)c1ccc2ccccc2c1Cl.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.COc1c(C(C)C)ccc2c1CCCO2.Cc1cc(F)c(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12
InChIInChI=1S/C13H13Cl.C13H14FN.2C13H15N.C13H18O2.C13H18O.C12H12ClN.C12H13N.C12H16O.2C11H11ClO.C11H13ClO.2C11H11ClO.C11H13N.C10H14S/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-8(2)12-11(14)7-9(3)10-5-4-6-15-13(10)12;2*1-9(2)11-7-6-10(3)12-5-4-8-14-13(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;1-9(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;1-7(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;3*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/h3-9H,1-2H3;4-8H,1-3H3;2*4-9H,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7,9H,8H2,1-4H3;3-8H,1-2H3;3-9H,1-2H3;4-6,8-9H,7H2,1-3H3;2*3-7H,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-7H,1-2H3;3-8,12H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeySROWSALIQRWDSM-UHFFFAOYSA-N
MW3029.10 g/mol
LogP59.94
Rot. Bonds17

About 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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

4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 160917424) has the molecular formula C190H218Cl7FN6O9S and a molecular weight of 3029.10 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 Name4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 CID160917424
Molecular FormulaC190H218Cl7FN6O9S
Molecular Weight3029.10 g/mol
Exact Mass3023.43
IUPAC Name4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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)OCC2.CC(C)c1ccc2ccccc2c1Cl.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.COc1c(C(C)C)ccc2c1CCCO2.Cc1cc(F)c(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12
InChIInChI=1S/C13H13Cl.C13H14FN.2C13H15N.C13H18O2.C13H18O.C12H12ClN.C12H13N.C12H16O.2C11H11ClO.C11H13ClO.2C11H11ClO.C11H13N.C10H14S/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-8(2)12-11(14)7-9(3)10-5-4-6-15-13(10)12;2*1-9(2)11-7-6-10(3)12-5-4-8-14-13(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;1-9(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;1-7(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;3*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/h3-9H,1-2H3;4-8H,1-3H3;2*4-9H,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7,9H,8H2,1-4H3;3-8H,1-2H3;3-9H,1-2H3;4-6,8-9H,7H2,1-3H3;2*3-7H,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-7H,1-2H3;3-8,12H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeySROWSALIQRWDSM-UHFFFAOYSA-N
XLogP59.94
TPSA178.95 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003029.10
LogP ≤ 559.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 160917424) is 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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)OCC2.CC(C)c1ccc2ccccc2c1Cl.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2ccoc2c1Cl.CC(C)c1ccc2occc2c1Cl.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.COc1c(C(C)C)ccc2c1CCCO2.Cc1cc(F)c(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12.
What is the InChIKey of 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 SROWSALIQRWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl.C13H14FN.2C13H15N.C13H18O2.C13H18O.C12H12ClN.C12H13N.C12H16O.2C11H11ClO.C11H13ClO.2C11H11ClO.C11H13N.C10H14S/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-8(2)12-11(14)7-9(3)10-5-4-6-15-13(10)12;2*1-9(2)11-7-6-10(3)12-5-4-8-14-13(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;1-9(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;1-7(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;3*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/h3-9H,1-2H3;4-8H,1-3H3;2*4-9H,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7,9H,8H2,1-4H3;3-8H,1-2H3;3-9H,1-2H3;4-6,8-9H,7H2,1-3H3;2*3-7H,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-7H,1-2H3;3-8,12H,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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?
4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 3029.10 g/mol, XLogP of 59.94, 17 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;bis(7-chloro-6-propan-2-yl-1-benzofuran);7-chloro-6-propan-2-yl-2,3-dihydro-1-benzofuran;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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 160917424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).