tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene

C176H237Cl3F4IN9O4 — CID 167704220

IUPACtert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene
SMILESC=CC.CC(C)(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)ccc1F.CC(C)(C)c1cc(O)ccc1I.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2c1CN=C2.CC(C)(C)c1ccccc1.CC(F)c1c(C(C)(C)C)ccc(N)c1Cl.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1Cl.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/C13H18N2.C13H17N.C13H16.C12H17ClFN.C12H16N2.C12H15N.C12H16O.2C12H18.C11H12ClFN2.C11H15Cl.2C10H13FO.C10H13IO.C10H14.C3H6/c1-8-6-11-10(7-14-15-11)12(9(8)2)13(3,4)5;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-7(14)10-8(12(2,3)4)5-6-9(15)11(10)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-9-7-6-8-11(10(9)2)12(3,4)5;1-11(2,3)9-6-5-14-15-8(6)4-7(13)10(9)12;1-8-6-5-7-9(10(8)12)11(2,3)4;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)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-3-2/h6-7H,1-5H3,(H,14,15);5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-7H,15H2,1-4H3;5-7H,1-4H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;2*6-8H,1-5H3;4-5H,1-3H3,(H,14,15);5-7H,1-4H3;3*4-6,12H,1-3H3;4-8H,1-3H3;3H,1H2,2H3
InChIKeyYVYDGSYFGSJCBR-UHFFFAOYSA-N
MW2852.15 g/mol
LogP51.69
Rot. Bonds1

About tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene

tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene (PubChem CID 167704220) has the molecular formula C176H237Cl3F4IN9O4 and a molecular weight of 2852.15 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene
PubChem CID167704220
Molecular FormulaC176H237Cl3F4IN9O4
Molecular Weight2852.15 g/mol
Exact Mass2848.67
IUPAC Nametert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene
SMILESC=CC.CC(C)(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)ccc1F.CC(C)(C)c1cc(O)ccc1I.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2c1CN=C2.CC(C)(C)c1ccccc1.CC(F)c1c(C(C)(C)C)ccc(N)c1Cl.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1Cl.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/C13H18N2.C13H17N.C13H16.C12H17ClFN.C12H16N2.C12H15N.C12H16O.2C12H18.C11H12ClFN2.C11H15Cl.2C10H13FO.C10H13IO.C10H14.C3H6/c1-8-6-11-10(7-14-15-11)12(9(8)2)13(3,4)5;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-7(14)10-8(12(2,3)4)5-6-9(15)11(10)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-9-7-6-8-11(10(9)2)12(3,4)5;1-11(2,3)9-6-5-14-15-8(6)4-7(13)10(9)12;1-8-6-5-7-9(10(8)12)11(2,3)4;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)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-3-2/h6-7H,1-5H3,(H,14,15);5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-7H,15H2,1-4H3;5-7H,1-4H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;2*6-8H,1-5H3;4-5H,1-3H3,(H,14,15);5-7H,1-4H3;3*4-6,12H,1-3H3;4-8H,1-3H3;3H,1H2,2H3
InChIKeyYVYDGSYFGSJCBR-UHFFFAOYSA-N
XLogP51.69
TPSA199.27 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002852.15
LogP ≤ 551.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene with MolForge

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Related Compounds

5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane
CID 160833078
6-(3-butoxyphenyl)-3-methyl-2H-indazole;5-(4-tert-butylphenyl)-1H-indol-3-amine;2-(3-methyl-2H-indazol-6-yl)phenol;[2-(3-methyl-2H-indazol-5-yl)phenyl]methanol;3-methyl-6-(2-phenoxyphenyl)-2H-indazole;5-[4-(2-methylpropyl)phenyl]-1H-indol-3-amine;3-methyl-6-[3-(trifluoromethyl)phenyl]-2H-indazole;3-methyl-6-[4-(trifluoromethyl)phenyl]-2H-indazole;5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-amine;5-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine
CID 161824242
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157457266
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157534800
but-2-yn-1-ol;3-chloro-5-methylphenol;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159093761
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159181744
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 159305167
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2,3-dihydro-1H-indole;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159564197
but-2-yn-1-ol;1-chloro-3,5-dimethylbenzene;3,6-dimethyl-2H-indazole;bis(1-fluoro-3,5-dimethylbenzene);2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;5-fluoro-2-methylphenol;3-methylaniline;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;tris(1,3-xylene)
CID 159831630
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 160046120
5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol
CID 160526025
4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-fluorobenzene;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;4-tert-butylnaphthalen-2-ol
CID 160593872

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene?
The IUPAC name of tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene (CID 167704220) is tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene is C=CC.CC(C)(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)ccc1F.CC(C)(C)c1cc(O)ccc1I.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2c1CN=C2.CC(C)(C)c1ccccc1.CC(F)c1c(C(C)(C)C)ccc(N)c1Cl.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1Cl.Cn1ccc2cccc(C(C)(C)C)c21.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene?
The InChIKey is YVYDGSYFGSJCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H17N.C13H16.C12H17ClFN.C12H16N2.C12H15N.C12H16O.2C12H18.C11H12ClFN2.C11H15Cl.2C10H13FO.C10H13IO.C10H14.C3H6/c1-8-6-11-10(7-14-15-11)12(9(8)2)13(3,4)5;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-7(14)10-8(12(2,3)4)5-6-9(15)11(10)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-9-7-6-8-11(10(9)2)12(3,4)5;1-11(2,3)9-6-5-14-15-8(6)4-7(13)10(9)12;1-8-6-5-7-9(10(8)12)11(2,3)4;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)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-3-2/h6-7H,1-5H3,(H,14,15);5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-7H,15H2,1-4H3;5-7H,1-4H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;2*6-8H,1-5H3;4-5H,1-3H3,(H,14,15);5-7H,1-4H3;3*4-6,12H,1-3H3;4-8H,1-3H3;3H,1H2,2H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene?
tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene has a molecular weight of 2852.15 g/mol, XLogP of 51.69, 1 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene is sourced from PubChem (CID 167704220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).