4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol

C220H306ClF2N29O8 — CID 162075857

IUPAC4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)C1=CCC(=O)C=C1.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2c1CCCC2.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]c1N.CC(C)(C)n1ccccc1=O.CC(C)(C)n1ccnc1N.Cc1cc(O)cc(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(N)n[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C
InChIInChI=1S/C14H20O.C14H16O.3C13H18N2.C12H17N3.2C12H16N2.C12H15N.C12H18O.C11H13FN2.C11H15N3.C11H15NO.C10H13ClO.C10H13FO.C10H14O.C9H13NO.2C7H13N3.C7H12N2/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;3*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-7-5-6-8-10(14-15-11(8)13)9(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8-6-10(13)7-11(9(8)2)12(3,4)5;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)10-7-5-4-6-8(10)11;1-7(2,3)10-5-4-9-6(10)8;1-7(2,3)5-4-9-10-6(5)8;1-7(2,3)6-4-8-9-5-6/h8-9,15H,4-7H2,1-3H3;4-9,15H,1-3H3;3*6-7H,1-5H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;6-7,13H,1-5H3;4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H2,12,13);2*4-6,12H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H2,8,9);4H,1-3H3,(H3,8,9,10);4-5H,1-3H3,(H,8,9)
InChIKeyZBRRQLJPHBHFHV-UHFFFAOYSA-N
MW3558.51 g/mol
LogP55.83
Rot. Bonds1

About 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol

4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 162075857) has the molecular formula C220H306ClF2N29O8 and a molecular weight of 3558.51 g/mol. Its IUPAC name is 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID162075857
Molecular FormulaC220H306ClF2N29O8
Molecular Weight3558.51 g/mol
Exact Mass3555.41
IUPAC Name4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)C1=CCC(=O)C=C1.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2c1CCCC2.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]c1N.CC(C)(C)n1ccccc1=O.CC(C)(C)n1ccnc1N.Cc1cc(O)cc(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(N)n[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C
InChIInChI=1S/C14H20O.C14H16O.3C13H18N2.C12H17N3.2C12H16N2.C12H15N.C12H18O.C11H13FN2.C11H15N3.C11H15NO.C10H13ClO.C10H13FO.C10H14O.C9H13NO.2C7H13N3.C7H12N2/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;3*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-7-5-6-8-10(14-15-11(8)13)9(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8-6-10(13)7-11(9(8)2)12(3,4)5;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)10-7-5-4-6-8(10)11;1-7(2,3)10-5-4-9-6(10)8;1-7(2,3)5-4-9-10-6(5)8;1-7(2,3)6-4-8-9-5-6/h8-9,15H,4-7H2,1-3H3;4-9,15H,1-3H3;3*6-7H,1-5H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;6-7,13H,1-5H3;4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H2,12,13);2*4-6,12H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H2,8,9);4H,1-3H3,(H3,8,9,10);4-5H,1-3H3,(H,8,9)
InChIKeyZBRRQLJPHBHFHV-UHFFFAOYSA-N
XLogP55.83
TPSA594.67 Ų
H-Bond Donors20
H-Bond Acceptors25
Rotatable Bonds1
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003558.51
LogP ≤ 555.83
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1025

Analyze 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;3-[2-(3-hydroxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide
CID 160714872
4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 161313079
1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 165075167
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157962525
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;bis(4-tert-butylnaphthalen-2-ol);4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butylquinazolin-2-amine;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158116559
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158142435
3-(1H-benzimidazol-2-yl)-5-(4-chloro-3-pyridinyl)-1H-indazole;2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol;N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole
CID 158360608
4-tert-butylbenzamide;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butylimidazol-2-amine;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butylquinazolin-2-amine;8-tert-butylquinazolin-6-ol;4-tert-butyl-3H-quinazolin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158411518
6-(1H-benzimidazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-chloro-5-hydroxyphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-hydroxy-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-hydroxy-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;2-[3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-5-yl]benzamide
CID 158434670
6-(2-aminoimidazol-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-amino-5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;6-(6-amino-3-methyl-2-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-amino-4H-pyrazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-chloro-4-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-chloro-4-(5-methyl-1H-isoindol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1H-2lambda6,1,3-benzothiadiazol-3-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 158879630
4-tert-butylbenzamide;tert-butylbenzene;3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;3-tert-butyl-4-methylphenol;4-tert-butylnaphthalen-2-ol;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159131411
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indazole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159450316

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 162075857) is 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(C)C1=CCC(=O)C=C1.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2c1CCCC2.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]c1N.CC(C)(C)n1ccccc1=O.CC(C)(C)n1ccnc1N.Cc1cc(O)cc(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(N)n[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C.
What is the InChIKey of 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZBRRQLJPHBHFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C14H16O.3C13H18N2.C12H17N3.2C12H16N2.C12H15N.C12H18O.C11H13FN2.C11H15N3.C11H15NO.C10H13ClO.C10H13FO.C10H14O.C9H13NO.2C7H13N3.C7H12N2/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;3*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-7-5-6-8-10(14-15-11(8)13)9(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8-6-10(13)7-11(9(8)2)12(3,4)5;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)10-7-5-4-6-8(10)11;1-7(2,3)10-5-4-9-6(10)8;1-7(2,3)5-4-9-10-6(5)8;1-7(2,3)6-4-8-9-5-6/h8-9,15H,4-7H2,1-3H3;4-9,15H,1-3H3;3*6-7H,1-5H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;6-7,13H,1-5H3;4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H2,12,13);2*4-6,12H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H2,8,9);4H,1-3H3,(H3,8,9,10);4-5H,1-3H3,(H,8,9).
What are the key properties of 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol?
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 3558.51 g/mol, XLogP of 55.83, 1 rotatable bonds, 20 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 162075857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).