5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline

C151H183Cl5F4N6O7 — CID 158143322

IUPAC5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(C)c1cc2c(cc1Cl)OCC(C)(F)C2.CC(C)c1ccc(Cl)c2cccnc12.CC(C)c1ccc2c(c1Cl)CC(F)(F)CO2.CC(C)c1ccc2c(c1Cl)OCCC2.CC(C)c1cccc2cccnc12.Cc1c(C(C)C)ccc2c1CCCO2.Cc1c(C(C)C)ccc2c1NCCO2.Cc1c(C(C)C)ccc2c1OCCC2.Cc1cc(C(C)C)c(Cl)c2c1OCCC2.Cc1cc(F)c(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/C13H16ClFO.C13H17ClO.C13H14FN.2C13H15N.2C13H18O.C12H13ClF2O.C12H12ClN.C12H15ClO.C12H17NO.C12H13N/c1-8(2)10-4-9-6-13(3,15)7-16-12(9)5-11(10)14;1-8(2)11-7-9(3)13-10(12(11)14)5-4-6-15-13;1-8(2)12-11(14)7-9(3)10-5-4-6-15-13(10)12;1-9(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)11-6-7-13-12(10(11)3)5-4-8-14-13;1-9(2)12-7-6-11-5-4-8-14-13(11)10(12)3;1-7(2)8-3-4-10-9(11(8)13)5-12(14,15)6-16-10;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)10-6-5-9-4-3-7-14-12(9)11(10)13;1-8(2)10-4-5-11-12(9(10)3)13-6-7-14-11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h4-5,8H,6-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;2*4-9H,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3
InChIKeyFUFDGWCMAGCOGA-UHFFFAOYSA-N
MW2447.42 g/mol
LogP44.36
Rot. Bonds12

About 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline

5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline (PubChem CID 158143322) has the molecular formula C151H183Cl5F4N6O7 and a molecular weight of 2447.42 g/mol. Its IUPAC name is 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline.

Molecular Properties

Compound Name5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline
PubChem CID158143322
Molecular FormulaC151H183Cl5F4N6O7
Molecular Weight2447.42 g/mol
Exact Mass2443.25
IUPAC Name5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(C)c1cc2c(cc1Cl)OCC(C)(F)C2.CC(C)c1ccc(Cl)c2cccnc12.CC(C)c1ccc2c(c1Cl)CC(F)(F)CO2.CC(C)c1ccc2c(c1Cl)OCCC2.CC(C)c1cccc2cccnc12.Cc1c(C(C)C)ccc2c1CCCO2.Cc1c(C(C)C)ccc2c1NCCO2.Cc1c(C(C)C)ccc2c1OCCC2.Cc1cc(C(C)C)c(Cl)c2c1OCCC2.Cc1cc(F)c(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/C13H16ClFO.C13H17ClO.C13H14FN.2C13H15N.2C13H18O.C12H13ClF2O.C12H12ClN.C12H15ClO.C12H17NO.C12H13N/c1-8(2)10-4-9-6-13(3,15)7-16-12(9)5-11(10)14;1-8(2)11-7-9(3)13-10(12(11)14)5-4-6-15-13;1-8(2)12-11(14)7-9(3)10-5-4-6-15-13(10)12;1-9(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)11-6-7-13-12(10(11)3)5-4-8-14-13;1-9(2)12-7-6-11-5-4-8-14-13(11)10(12)3;1-7(2)8-3-4-10-9(11(8)13)5-12(14,15)6-16-10;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)10-6-5-9-4-3-7-14-12(9)11(10)13;1-8(2)10-4-5-11-12(9(10)3)13-6-7-14-11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h4-5,8H,6-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;2*4-9H,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3
InChIKeyFUFDGWCMAGCOGA-UHFFFAOYSA-N
XLogP44.36
TPSA141.09 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002447.42
LogP ≤ 544.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline?
The IUPAC name of 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline (CID 158143322) is 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline.
What is the SMILES notation for 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline?
The canonical SMILES for 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline is CC(C)c1cc2c(cc1Cl)OCC(C)(F)C2.CC(C)c1ccc(Cl)c2cccnc12.CC(C)c1ccc2c(c1Cl)CC(F)(F)CO2.CC(C)c1ccc2c(c1Cl)OCCC2.CC(C)c1cccc2cccnc12.Cc1c(C(C)C)ccc2c1CCCO2.Cc1c(C(C)C)ccc2c1NCCO2.Cc1c(C(C)C)ccc2c1OCCC2.Cc1cc(C(C)C)c(Cl)c2c1OCCC2.Cc1cc(F)c(C(C)C)c2ncccc12.Cc1ccc(C(C)C)c2ncccc12.Cc1ccnc2c(C(C)C)cccc12.
What is the InChIKey of 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline?
The InChIKey is FUFDGWCMAGCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO.C13H17ClO.C13H14FN.2C13H15N.2C13H18O.C12H13ClF2O.C12H12ClN.C12H15ClO.C12H17NO.C12H13N/c1-8(2)10-4-9-6-13(3,15)7-16-12(9)5-11(10)14;1-8(2)11-7-9(3)13-10(12(11)14)5-4-6-15-13;1-8(2)12-11(14)7-9(3)10-5-4-6-15-13(10)12;1-9(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)11-6-7-13-12(10(11)3)5-4-8-14-13;1-9(2)12-7-6-11-5-4-8-14-13(11)10(12)3;1-7(2)8-3-4-10-9(11(8)13)5-12(14,15)6-16-10;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)10-6-5-9-4-3-7-14-12(9)11(10)13;1-8(2)10-4-5-11-12(9(10)3)13-6-7-14-11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h4-5,8H,6-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;2*4-9H,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3.
What are the key properties of 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline?
5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline has a molecular weight of 2447.42 g/mol, XLogP of 44.36, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;7-chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-7-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline is sourced from PubChem (CID 158143322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).