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

C163H207Cl7F3N7O12 — CID 158741656

IUPAC5-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
SMILESCC(C)c1ccc2c(c1Cl)CC(F)(F)CO2.CC(C)c1ccc2c(c1Cl)N(C)CCO2.CC(C)c1ccc2c(c1Cl)OCC2.CC(C)c1ccc2c(c1Cl)OCCC2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2ccoc2c1Cl.CCN1CCOc2ccc(C(C)C)c(C)c21.CCN1CCOc2ccc(C(C)C)c(Cl)c21.Cc1c(C(C)C)ccc2c1N(C)CCO2.Cc1c(C(C)C)ccc2c1NCCO2.Cc1c(C(C)C)ccc2c1OCCC2.Cc1cc(C(C)C)c(Cl)c2c1OCCC2.Cc1cc(F)c(C(C)C)c2ncccc12
InChIInChI=1S/C14H15NO.C14H21NO.C13H18ClNO.C13H17ClO.C13H14FN.C13H19NO.C13H18O.C12H13ClF2O.C12H16ClNO.C12H15ClO.C12H17NO.C11H13ClO.C11H11ClO/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-5-15-8-9-16-13-7-6-12(10(2)3)11(4)14(13)15;1-4-15-7-8-16-11-6-5-10(9(2)3)12(14)13(11)15;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)11-5-6-12-13(10(11)3)14(4)7-8-15-12;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)9-4-5-10-12(11(9)13)14(3)6-7-15-10;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;2*1-7(2)9-4-3-8-5-6-13-11(8)10(9)12/h3-5,7,9H,6,8H2,1-2H3;6-7,10H,5,8-9H2,1-4H3;5-6,9H,4,7-8H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;5-6,9H,7-8H2,1-4H3;6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,8H,6-7H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;4-5,8,13H,6-7H2,1-3H3;3-4,7H,5-6H2,1-2H3;3-7H,1-2H3
InChIKeyIMJGVFHQUPXAQM-UHFFFAOYSA-N
MW2761.65 g/mol
LogP46.25
Rot. Bonds15

About 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

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 (PubChem CID 158741656) has the molecular formula C163H207Cl7F3N7O12 and a molecular weight of 2761.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158741656
Molecular FormulaC163H207Cl7F3N7O12
Molecular Weight2761.65 g/mol
Exact Mass2756.36
IUPAC Name5-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
SMILESCC(C)c1ccc2c(c1Cl)CC(F)(F)CO2.CC(C)c1ccc2c(c1Cl)N(C)CCO2.CC(C)c1ccc2c(c1Cl)OCC2.CC(C)c1ccc2c(c1Cl)OCCC2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2ccoc2c1Cl.CCN1CCOc2ccc(C(C)C)c(C)c21.CCN1CCOc2ccc(C(C)C)c(Cl)c21.Cc1c(C(C)C)ccc2c1N(C)CCO2.Cc1c(C(C)C)ccc2c1NCCO2.Cc1c(C(C)C)ccc2c1OCCC2.Cc1cc(C(C)C)c(Cl)c2c1OCCC2.Cc1cc(F)c(C(C)C)c2ncccc12
InChIInChI=1S/C14H15NO.C14H21NO.C13H18ClNO.C13H17ClO.C13H14FN.C13H19NO.C13H18O.C12H13ClF2O.C12H16ClNO.C12H15ClO.C12H17NO.C11H13ClO.C11H11ClO/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-5-15-8-9-16-13-7-6-12(10(2)3)11(4)14(13)15;1-4-15-7-8-16-11-6-5-10(9(2)3)12(14)13(11)15;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)11-5-6-12-13(10(11)3)14(4)7-8-15-12;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)9-4-5-10-12(11(9)13)14(3)6-7-15-10;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;2*1-7(2)9-4-3-8-5-6-13-11(8)10(9)12/h3-5,7,9H,6,8H2,1-2H3;6-7,10H,5,8-9H2,1-4H3;5-6,9H,4,7-8H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;5-6,9H,7-8H2,1-4H3;6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,8H,6-7H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;4-5,8,13H,6-7H2,1-3H3;3-4,7H,5-6H2,1-2H3;3-7H,1-2H3
InChIKeyIMJGVFHQUPXAQM-UHFFFAOYSA-N
XLogP46.25
TPSA165.44 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002761.65
LogP ≤ 546.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
CID 158738193
CID 158738193
CID 158829891
CID 158829891
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
CID 160747841
CID 160747841
5-chloro-3,3-difluoro-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;1-chloro-2-propan-2-ylnaphthalene;5-chloro-8-propan-2-ylquinoline;7,8-difluoro-6-propan-2-yl-3,4-dihydro-2H-chromene;4,4-difluoro-6-propan-2-yl-2,3-dihydro-1H-naphthalene;4,4-difluoro-7-propan-2-yl-2,3-dihydro-1H-naphthalene;4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-fluoro-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;7-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-ylquinoline
CID 160962942
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;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;methane;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 161120868
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
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-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;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;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 161236754
CID 161782350
CID 161782350
2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;8-chloro-6-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-2-propan-2-ylphenol;cumene;1-fluoro-4-propan-2-ylbenzene;8-fluoro-6-propan-2-yl-3,4-dihydro-2H-chromene;3-fluoro-4-propan-2-ylphenol;1-methyl-4-propan-2-ylbenzene;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-ylcyclohexene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-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;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 157618247

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc2c(c1Cl)CC(F)(F)CO2.CC(C)c1ccc2c(c1Cl)N(C)CCO2.CC(C)c1ccc2c(c1Cl)OCC2.CC(C)c1ccc2c(c1Cl)OCCC2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2ccoc2c1Cl.CCN1CCOc2ccc(C(C)C)c(C)c21.CCN1CCOc2ccc(C(C)C)c(Cl)c21.Cc1c(C(C)C)ccc2c1N(C)CCO2.Cc1c(C(C)C)ccc2c1NCCO2.Cc1c(C(C)C)ccc2c1OCCC2.Cc1cc(C(C)C)c(Cl)c2c1OCCC2.Cc1cc(F)c(C(C)C)c2ncccc12.
What is the InChIKey of 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?
The InChIKey is IMJGVFHQUPXAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C14H21NO.C13H18ClNO.C13H17ClO.C13H14FN.C13H19NO.C13H18O.C12H13ClF2O.C12H16ClNO.C12H15ClO.C12H17NO.C11H13ClO.C11H11ClO/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-5-15-8-9-16-13-7-6-12(10(2)3)11(4)14(13)15;1-4-15-7-8-16-11-6-5-10(9(2)3)12(14)13(11)15;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)11-5-6-12-13(10(11)3)14(4)7-8-15-12;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)9-4-5-10-12(11(9)13)14(3)6-7-15-10;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;2*1-7(2)9-4-3-8-5-6-13-11(8)10(9)12/h3-5,7,9H,6,8H2,1-2H3;6-7,10H,5,8-9H2,1-4H3;5-6,9H,4,7-8H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;5-6,9H,7-8H2,1-4H3;6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,8H,6-7H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;4-5,8,13H,6-7H2,1-3H3;3-4,7H,5-6H2,1-2H3;3-7H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2761.65 g/mol, XLogP of 46.25, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).