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

C160H242FN21O12S — CID 160980448

IUPAC4,7-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
SMILESC.C.C.C.C.C.C.C.C.C=C1OCc2c(C(C)C)cnc(C(C)C)c21.CC(C)c1ccc(C(C)C)c2c1CC(C)(F)O2.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)OC2.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1COC2.CC(C)c1nnc(C(C)C)c2c1COC2=O.CC(C)c1nnc(C(C)C)c2nonc12
InChIInChI=1S/C15H21FO.C14H19NO.C14H18O2.C13H18N2.C13H17NO2.C13H17NO.C12H16N2O2.C12H18N2O.C12H16N2O.C12H16N2S.C11H16N4.C10H14N4O.9CH4/c1-9(2)11-6-7-12(10(3)4)14-13(11)8-15(5,16)17-14;1-8(2)11-6-15-14(9(3)4)13-10(5)16-7-12(11)13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-16-14(13)15;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-7(2)9-5-14-12(8(3)4)10-6-16-13(15)11(9)10;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-6(2)10-8-5-16-12(15)9(8)11(7(3)4)14-13-10;1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11;2*1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;1-5(2)7-9-10(14-15-13-9)8(6(3)4)12-11-7;;;;;;;;;/h6-7,9-10H,8H2,1-5H3;6,8-9H,5,7H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-9,14H,1-4H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;6-7H,5H2,1-4H3;7-8H,5-6H2,1-4H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;9*1H4
InChIKeySZLCUUOVJJPVRR-UHFFFAOYSA-N
MW2702.90 g/mol
LogP44.34
Rot. Bonds24

About 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

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 (PubChem CID 160980448) has the molecular formula C160H242FN21O12S and a molecular weight of 2702.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,7-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
PubChem CID160980448
Molecular FormulaC160H242FN21O12S
Molecular Weight2702.90 g/mol
Exact Mass2700.87
IUPAC Name4,7-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
SMILESC.C.C.C.C.C.C.C.C.C=C1OCc2c(C(C)C)cnc(C(C)C)c21.CC(C)c1ccc(C(C)C)c2c1CC(C)(F)O2.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)OC2.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1COC2.CC(C)c1nnc(C(C)C)c2c1COC2=O.CC(C)c1nnc(C(C)C)c2nonc12
InChIInChI=1S/C15H21FO.C14H19NO.C14H18O2.C13H18N2.C13H17NO2.C13H17NO.C12H16N2O2.C12H18N2O.C12H16N2O.C12H16N2S.C11H16N4.C10H14N4O.9CH4/c1-9(2)11-6-7-12(10(3)4)14-13(11)8-15(5,16)17-14;1-8(2)11-6-15-14(9(3)4)13-10(5)16-7-12(11)13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-16-14(13)15;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-7(2)9-5-14-12(8(3)4)10-6-16-13(15)11(9)10;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-6(2)10-8-5-16-12(15)9(8)11(7(3)4)14-13-10;1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11;2*1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;1-5(2)7-9-10(14-15-13-9)8(6(3)4)12-11-7;;;;;;;;;/h6-7,9-10H,8H2,1-5H3;6,8-9H,5,7H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-9,14H,1-4H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;6-7H,5H2,1-4H3;7-8H,5-6H2,1-4H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;9*1H4
InChIKeySZLCUUOVJJPVRR-UHFFFAOYSA-N
XLogP44.34
TPSA418.54 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002702.90
LogP ≤ 544.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine
CID 158166847
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
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 161472059
CID 161472059
CID 161666972
CID 161666972
2,3-Ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine
CID 157057682

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C=C1OCc2c(C(C)C)cnc(C(C)C)c21.CC(C)c1ccc(C(C)C)c2c1CC(C)(F)O2.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)OC2.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1COC2.CC(C)c1nnc(C(C)C)c2c1COC2=O.CC(C)c1nnc(C(C)C)c2nonc12.
What is the InChIKey of 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?
The InChIKey is SZLCUUOVJJPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO.C14H19NO.C14H18O2.C13H18N2.C13H17NO2.C13H17NO.C12H16N2O2.C12H18N2O.C12H16N2O.C12H16N2S.C11H16N4.C10H14N4O.9CH4/c1-9(2)11-6-7-12(10(3)4)14-13(11)8-15(5,16)17-14;1-8(2)11-6-15-14(9(3)4)13-10(5)16-7-12(11)13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-16-14(13)15;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-7(2)9-5-14-12(8(3)4)10-6-16-13(15)11(9)10;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-6(2)10-8-5-16-12(15)9(8)11(7(3)4)14-13-10;1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11;2*1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;1-5(2)7-9-10(14-15-13-9)8(6(3)4)12-11-7;;;;;;;;;/h6-7,9-10H,8H2,1-5H3;6,8-9H,5,7H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-9,14H,1-4H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;6-7H,5H2,1-4H3;7-8H,5-6H2,1-4H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;9*1H4.
What are the key properties of 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?
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 has a molecular weight of 2702.90 g/mol, XLogP of 44.34, 24 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160980448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).