1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline

C230H283FN12O13S2 — CID 159753425

IUPAC1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline
SMILESCC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1ccccc1C(C)C.CC(C)C[C@]12CCC(CC1=O)C2.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C2(C)CC2)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ncccc12.CCC.COc1ccc(C(C)C)cc1F.COc1ccc(C(C)C)cc1OC.Cc1cnc(-c2ccc(C(C)C)cc2)s1.Cc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C13H15NO.C13H15NS.C13H18.2C13H14.3C12H13N.C11H12N2O.C11H16O2.C11H18O.3C11H14O.C10H13FO.2C10H12N2.C10H11NS.2C10H12O2.C3H8/c1-9(2)11-4-6-12(7-5-11)13-8-14-10(3)15-13;1-9(2)11-4-6-12(7-5-11)13-14-8-10(3)15-13;1-10(2)11-4-6-12(7-5-11)13(3)8-9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)6-11-4-3-9(7-11)5-10(11)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9(6-4-8)10(11)12;1-3-2/h2*4-9H,1-3H3;4-7,10H,8-9H2,1-3H3;2*3-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;5-8H,1-4H3;8-9H,3-7H2,1-2H3;3*4-8H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);3H2,1-2H3/t;;;;;;;;;;9?,11-;;;;;;;;;;/m..........0........../s1
InChIKeyNDYGZTKCKYGKTM-BMRMWSRWSA-N
MW3507.00 g/mol
LogP65.61
Rot. Bonds32

About 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline

1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline (PubChem CID 159753425) has the molecular formula C230H283FN12O13S2 and a molecular weight of 3507.00 g/mol. Its IUPAC name is 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline.

Molecular Properties

Compound Name1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline
PubChem CID159753425
Molecular FormulaC230H283FN12O13S2
Molecular Weight3507.00 g/mol
Exact Mass3504.13
IUPAC Name1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline
SMILESCC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1ccccc1C(C)C.CC(C)C[C@]12CCC(CC1=O)C2.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C2(C)CC2)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ncccc12.CCC.COc1ccc(C(C)C)cc1F.COc1ccc(C(C)C)cc1OC.Cc1cnc(-c2ccc(C(C)C)cc2)s1.Cc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C13H15NO.C13H15NS.C13H18.2C13H14.3C12H13N.C11H12N2O.C11H16O2.C11H18O.3C11H14O.C10H13FO.2C10H12N2.C10H11NS.2C10H12O2.C3H8/c1-9(2)11-4-6-12(7-5-11)13-8-14-10(3)15-13;1-9(2)11-4-6-12(7-5-11)13-14-8-10(3)15-13;1-10(2)11-4-6-12(7-5-11)13(3)8-9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)6-11-4-3-9(7-11)5-10(11)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9(6-4-8)10(11)12;1-3-2/h2*4-9H,1-3H3;4-7,10H,8-9H2,1-3H3;2*3-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;5-8H,1-4H3;8-9H,3-7H2,1-2H3;3*4-8H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);3H2,1-2H3/t;;;;;;;;;;9?,11-;;;;;;;;;;/m..........0........../s1
InChIKeyNDYGZTKCKYGKTM-BMRMWSRWSA-N
XLogP65.61
TPSA338.49 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003507.00
LogP ≤ 565.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161505078
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161514862
1-tert-butylbenzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2H-benzotriazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydroisoindol-1-one;1-tert-butyl-3,4-dihydro-1,5-naphthyridin-2-one;(1-tert-butyl-3,4-dihydro-2H-1,5-naphthyridin-4-yl)methanol;1-tert-butyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;2-(1-tert-butyl-3,4-dihydro-2H-quinolin-5-yl)-1,3-thiazole-4-carboxylic acid;1-tert-butyl-5-fluoro-6-isocyano-3,4-dihydro-2H-quinoline;5-tert-butyl-N-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide;6-tert-butyl-3-methyl-2H-indazole;4-tert-butylquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 163525911
1-tert-butylbenzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2H-benzotriazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydroisoindol-1-one;1-tert-butyl-3,4-dihydro-1,5-naphthyridin-2-one;(1-tert-butyl-3,4-dihydro-2H-1,5-naphthyridin-4-yl)methanol;1-tert-butyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;2-(1-tert-butyl-3,4-dihydro-2H-quinolin-5-yl)-1,3-thiazole-4-carboxylic acid;1-tert-butyl-5-fluoro-6-isocyano-3,4-dihydro-2H-quinoline;5-tert-butyl-N-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide;6-tert-butyl-3-methyl-2H-indazole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butylquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 163830210
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
CID 167587651
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;chromen-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;methane;quinoline
CID 157072152
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclopenta-1,3-diene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-1H-imidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;5-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthiophene;2-tert-butyl-1,3,5-triazine;2,2-dimethylpropylbenzene;ethane
CID 157153880

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline?
The IUPAC name of 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline (CID 159753425) is 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline.
What is the SMILES notation for 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline?
The canonical SMILES for 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline is CC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1ccccc1C(C)C.CC(C)C[C@]12CCC(CC1=O)C2.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C2(C)CC2)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ncccc12.CCC.COc1ccc(C(C)C)cc1F.COc1ccc(C(C)C)cc1OC.Cc1cnc(-c2ccc(C(C)C)cc2)s1.Cc1ncc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline?
The InChIKey is NDYGZTKCKYGKTM-BMRMWSRWSA-N. The full InChI is InChI=1S/C13H15NO.C13H15NS.C13H18.2C13H14.3C12H13N.C11H12N2O.C11H16O2.C11H18O.3C11H14O.C10H13FO.2C10H12N2.C10H11NS.2C10H12O2.C3H8/c1-9(2)11-4-6-12(7-5-11)13-8-14-10(3)15-13;1-9(2)11-4-6-12(7-5-11)13-14-8-10(3)15-13;1-10(2)11-4-6-12(7-5-11)13(3)8-9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)6-11-4-3-9(7-11)5-10(11)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9(6-4-8)10(11)12;1-3-2/h2*4-9H,1-3H3;4-7,10H,8-9H2,1-3H3;2*3-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;5-8H,1-4H3;8-9H,3-7H2,1-2H3;3*4-8H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);3H2,1-2H3/t;;;;;;;;;;9?,11-;;;;;;;;;;/m..........0........../s1.
What are the key properties of 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline?
1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline has a molecular weight of 3507.00 g/mol, XLogP of 65.61, 32 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-(1-methylcyclopropyl)-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)-1,3-oxazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;(1S)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylbenzoic acid;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-(2-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-propan-2-ylquinoline is sourced from PubChem (CID 159753425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).