4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole

C160H206N6O — CID 165006244

IUPAC4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole
SMILESCC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCOc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1CCc2ccccc2C1.CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CN1CCC(C(C)(C)C)c2ccccc21.Cc1ccc2ncccc2c1C(C)(C)C.Cn1ccc2ccccc21
InChIInChI=1S/C17H20.C14H17N.C14H21N.C14H20.C14H16.C14H20.2C13H15N.C13H18O.C13H18.C12H17N.C9H9N/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-14(2,3)12-9-10-15(4)13-8-6-5-7-11(12)13;2*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10-7-6-8-4-2-3-5-9(8)10/h4-13,16H,1-3H3;5-9H,1-4H3;5-8,12H,9-10H2,1-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4-10H,1-3H3;4-7,13H,8-10H2,1-3H3;2*4-9H,1-3H3;4-7,11H,8-9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2-7H,1H3
InChIKeyIZULWLFLYRHAFS-UHFFFAOYSA-N
MW2229.45 g/mol
LogP43.94
Rot. Bonds2

About 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole

4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole (PubChem CID 165006244) has the molecular formula C160H206N6O and a molecular weight of 2229.45 g/mol. Its IUPAC name is 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole.

Molecular Properties

Compound Name4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole
PubChem CID165006244
Molecular FormulaC160H206N6O
Molecular Weight2229.45 g/mol
Exact Mass2227.63
IUPAC Name4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole
SMILESCC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCOc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1CCc2ccccc2C1.CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CN1CCC(C(C)(C)C)c2ccccc21.Cc1ccc2ncccc2c1C(C)(C)C.Cn1ccc2ccccc21
InChIInChI=1S/C17H20.C14H17N.C14H21N.C14H20.C14H16.C14H20.2C13H15N.C13H18O.C13H18.C12H17N.C9H9N/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-14(2,3)12-9-10-15(4)13-8-6-5-7-11(12)13;2*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10-7-6-8-4-2-3-5-9(8)10/h4-13,16H,1-3H3;5-9H,1-4H3;5-8,12H,9-10H2,1-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4-10H,1-3H3;4-7,13H,8-10H2,1-3H3;2*4-9H,1-3H3;4-7,11H,8-9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2-7H,1H3
InChIKeyIZULWLFLYRHAFS-UHFFFAOYSA-N
XLogP43.94
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002229.45
LogP ≤ 543.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole with MolForge

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Related Compounds

4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 159517528
tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane
CID 161129300
1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole
CID 167665179
tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159661246
1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-4,5-diphenyltriazole;1-tert-butylisoquinoline;6-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylnaphthalene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;4-tert-butylquinoline
CID 159109331
tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane
CID 158112502
4-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;bis(4-tert-butylisoquinoline);5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;4-tert-butyl-1H-quinolin-2-one;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;cumene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 162034077
1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 169144923
6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline
CID 162153943
N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689013
1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane
CID 158150156
4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline
CID 159132605

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole?
The IUPAC name of 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole (CID 165006244) is 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole.
What is the SMILES notation for 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole?
The canonical SMILES for 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole is CC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCOc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1CCc2ccccc2C1.CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CN1CCC(C(C)(C)C)c2ccccc21.Cc1ccc2ncccc2c1C(C)(C)C.Cn1ccc2ccccc21.
What is the InChIKey of 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole?
The InChIKey is IZULWLFLYRHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C14H17N.C14H21N.C14H20.C14H16.C14H20.2C13H15N.C13H18O.C13H18.C12H17N.C9H9N/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-14(2,3)12-9-10-15(4)13-8-6-5-7-11(12)13;2*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10-7-6-8-4-2-3-5-9(8)10/h4-13,16H,1-3H3;5-9H,1-4H3;5-8,12H,9-10H2,1-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4-10H,1-3H3;4-7,13H,8-10H2,1-3H3;2*4-9H,1-3H3;4-7,11H,8-9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2-7H,1H3.
What are the key properties of 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole?
4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole has a molecular weight of 2229.45 g/mol, XLogP of 43.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6-methylquinoline;1-tert-butylnaphthalene;6-tert-butylquinoline;8-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butyl-1,2,3,4-tetrahydronaphthalene;(2,2-dimethyl-1-phenylpropyl)benzene;1-methylindole is sourced from PubChem (CID 165006244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).