2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene

C228H327F3N22O9S — CID 158545299

IUPAC2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(CO)c1.CC(C)c1ccc(C(C)C)c(CO)n1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c2c1CC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1CCC2=O.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)CC2.CC(C)c1cnc(C(C)C)c2c1CCC2=O.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.COc1cc(C(C)C)cnc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C15H20O.C14H18F2O.2C14H19NO.C13H18N2O.C13H18N2.C13H20N2.C13H17NO.C13H20O.C13H20.C12H17F.C12H16N2S.2C12H19NO.C12H18.2C11H16N4.C11H17N/c1-9(2)11-5-6-12(10(3)4)15-13(11)7-8-14(15)16;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14(15,16)17-13;1-8(2)11-7-15-14(9(3)4)10-5-6-12(16)13(10)11;1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16;1-7(2)12-9-5-6-10(16)11(9)13(8(3)4)15-14-12;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-8(2)12-10-6-5-7-11(10)13(9(3)4)15-14-12;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-8(2)10-6-11(14-5)12(9(3)4)13-7-10;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-6,9-10H,7-8H2,1-4H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5-9,14H,1-4H3;8-9H,5-7H2,1-4H3;5-9H,1-4H3;5-7,9-10,14H,8H2,1-4H3;6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;6-9H,1-5H3;5-6,8-9,14H,7H2,1-4H3;5-10H,1-4H3;2*6-7H,5H2,1-4H3;5-9H,1-4H3
InChIKeyHPAOESYFOIIKND-UHFFFAOYSA-N
MW3609.33 g/mol
LogP60.35
Rot. Bonds39

About 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene

2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene (PubChem CID 158545299) has the molecular formula C228H327F3N22O9S and a molecular weight of 3609.33 g/mol. Its IUPAC name is 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene
PubChem CID158545299
Molecular FormulaC228H327F3N22O9S
Molecular Weight3609.33 g/mol
Exact Mass3606.55
IUPAC Name2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(CO)c1.CC(C)c1ccc(C(C)C)c(CO)n1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c2c1CC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1CCC2=O.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)CC2.CC(C)c1cnc(C(C)C)c2c1CCC2=O.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.COc1cc(C(C)C)cnc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C15H20O.C14H18F2O.2C14H19NO.C13H18N2O.C13H18N2.C13H20N2.C13H17NO.C13H20O.C13H20.C12H17F.C12H16N2S.2C12H19NO.C12H18.2C11H16N4.C11H17N/c1-9(2)11-5-6-12(10(3)4)15-13(11)7-8-14(15)16;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14(15,16)17-13;1-8(2)11-7-15-14(9(3)4)10-5-6-12(16)13(10)11;1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16;1-7(2)12-9-5-6-10(16)11(9)13(8(3)4)15-14-12;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-8(2)12-10-6-5-7-11(10)13(9(3)4)15-14-12;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-8(2)10-6-11(14-5)12(9(3)4)13-7-10;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-6,9-10H,7-8H2,1-4H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5-9,14H,1-4H3;8-9H,5-7H2,1-4H3;5-9H,1-4H3;5-7,9-10,14H,8H2,1-4H3;6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;6-9H,1-5H3;5-6,8-9,14H,7H2,1-4H3;5-10H,1-4H3;2*6-7H,5H2,1-4H3;5-9H,1-4H3
InChIKeyHPAOESYFOIIKND-UHFFFAOYSA-N
XLogP60.35
TPSA424.70 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003609.33
LogP ≤ 560.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene with MolForge

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Related Compounds

2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-3H-2-benzofuran-1-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-1H-furo[3,4-c]pyridin-3-one;bis(1,4-di(propan-2-yl)-7H-furo[3,4-d]pyridazin-5-one);4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,2,5]thiadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;2-fluoro-2-methyl-4,7-di(propan-2-yl)-3H-1-benzofuran;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene)
CID 159004141
CID 160247909
CID 160247909
CID 160677969
CID 160677969
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-3H-2-benzofuran-1-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-3H-furo[3,4-c]pyridin-1-one;1,4-di(propan-2-yl)-7H-furo[3,4-d]pyridazin-5-one;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;methane;3-methoxy-2,5-di(propan-2-yl)pyridine;tris(2-methyl-1,4-di(propan-2-yl)benzene);3-methylidene-4,7-di(propan-2-yl)-1H-furo[3,4-c]pyridine
CID 160801683
CID 161013949
CID 161013949
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)
CID 161070998
CID 161279329
CID 161279329
CID 161666972
CID 161666972
1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-3H-2-benzofuran-1-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-1H-furo[3,4-c]pyridin-3-one;1,4-di(propan-2-yl)-7H-furo[3,4-d]pyridazin-5-one;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,2,5]thiadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;2-fluoro-2-methyl-4,7-di(propan-2-yl)-3H-1-benzofuran;methane;3-methoxy-2,5-di(propan-2-yl)pyridine;tris(2-methyl-1,4-di(propan-2-yl)benzene)
CID 159786226
4,7-di(propan-2-yl)-3H-2-benzofuran-1-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-3H-furo[3,4-c]pyridin-1-one;1,4-di(propan-2-yl)-7H-furo[3,4-d]pyridazin-5-one;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-2-methyl-4,7-di(propan-2-yl)-3H-1-benzofuran;methane;3-methylidene-4,7-di(propan-2-yl)-1H-furo[3,4-c]pyridine
CID 160980448

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene?
The IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene (CID 158545299) is 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene?
The canonical SMILES for 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(C)C)c(CO)c1.CC(C)c1ccc(C(C)C)c(CO)n1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c2c1CC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1CCC2=O.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)CC2.CC(C)c1cnc(C(C)C)c2c1CCC2=O.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.COc1cc(C(C)C)cnc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.
What is the InChIKey of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene?
The InChIKey is HPAOESYFOIIKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O.C14H18F2O.2C14H19NO.C13H18N2O.C13H18N2.C13H20N2.C13H17NO.C13H20O.C13H20.C12H17F.C12H16N2S.2C12H19NO.C12H18.2C11H16N4.C11H17N/c1-9(2)11-5-6-12(10(3)4)15-13(11)7-8-14(15)16;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14(15,16)17-13;1-8(2)11-7-15-14(9(3)4)10-5-6-12(16)13(10)11;1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16;1-7(2)12-9-5-6-10(16)11(9)13(8(3)4)15-14-12;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-8(2)12-10-6-5-7-11(10)13(9(3)4)15-14-12;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-8(2)10-6-11(14-5)12(9(3)4)13-7-10;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-6,9-10H,7-8H2,1-4H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5-9,14H,1-4H3;8-9H,5-7H2,1-4H3;5-9H,1-4H3;5-7,9-10,14H,8H2,1-4H3;6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;6-9H,1-5H3;5-6,8-9,14H,7H2,1-4H3;5-10H,1-4H3;2*6-7H,5H2,1-4H3;5-9H,1-4H3.
What are the key properties of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene?
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene has a molecular weight of 3609.33 g/mol, XLogP of 60.35, 39 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 158545299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).