tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene

C187H251Cl3F5N11O4 — CID 167579743

IUPACtert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;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)c1ccc(N)c(Cl)c1C(F)F.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2c1CN=C2.CC(C)(C)c1ccccc1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1ccc(O)cc1C(C)(C)C.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.C12H16N2.C12H15N.C12H16O.2C12H18.C11H14ClF2N.C11H12ClFN2.C11H15Cl.C11H14N2.C11H16O.2C10H13FO.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;1-8-5-6-10-9(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)6-4-5-7(15)9(12)8(6)10(13)14;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;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-5-6-9(12)7-10(8)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)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,1-4H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;2*6-8H,1-5H3;4-5,10H,15H2,1-3H3;4-5H,1-3H3,(H,14,15);5-7H,1-4H3;4-7H,1-3H3,(H,12,13);5-7,12H,1-4H3;2*4-6,12H,1-3H3;4-8H,1-3H3;3H,1H2,2H3
InChIKeyHACWBRKMBAACMG-UHFFFAOYSA-N
MW2918.49 g/mol
LogP54.16
Rot. Bonds1

About tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene

tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene (PubChem CID 167579743) has the molecular formula C187H251Cl3F5N11O4 and a molecular weight of 2918.49 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene
PubChem CID167579743
Molecular FormulaC187H251Cl3F5N11O4
Molecular Weight2918.49 g/mol
Exact Mass2914.88
IUPAC Nametert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;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)c1ccc(N)c(Cl)c1C(F)F.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2c1CN=C2.CC(C)(C)c1ccccc1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1ccc(O)cc1C(C)(C)C.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.C12H16N2.C12H15N.C12H16O.2C12H18.C11H14ClF2N.C11H12ClFN2.C11H15Cl.C11H14N2.C11H16O.2C10H13FO.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;1-8-5-6-10-9(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)6-4-5-7(15)9(12)8(6)10(13)14;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;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-5-6-9(12)7-10(8)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)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,1-4H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;2*6-8H,1-5H3;4-5,10H,15H2,1-3H3;4-5H,1-3H3,(H,14,15);5-7H,1-4H3;4-7H,1-3H3,(H,12,13);5-7,12H,1-4H3;2*4-6,12H,1-3H3;4-8H,1-3H3;3H,1H2,2H3
InChIKeyHACWBRKMBAACMG-UHFFFAOYSA-N
XLogP54.16
TPSA227.95 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002918.49
LogP ≤ 554.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene with MolForge

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Related Compounds

3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 157788535
3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;1-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[(4-tert-butylphenoxy)methyl]-1-methylpiperidine;1-[(3-tert-butylphenyl)methyl]-3-methylidenepiperidine;3-[4-(2-tert-butylphenyl)piperazin-1-yl]propan-1-ol;1-(3-tert-butyl-2-pyridinyl)-1,4-diazepane;1-[2-tert-butyl-4-(trifluoromethyl)phenyl]imidazole;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
CID 160307874
1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 160450569
3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
CID 160749022
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole;2-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenol
CID 157439692
[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane
CID 157655443
[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane
CID 158232654
4-tert-butyl-1-benzofuran;4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158330625
4-tert-butyl-1-benzofuran;7-tert-butyl-3-chloro-1,6-dimethylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158667866
4-tert-butyl-1-benzofuran;4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158686062
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]phenol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole
CID 158690216
2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 158759167

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene (CID 167579743) is tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;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)c1ccc(N)c(Cl)c1C(F)F.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2c1CN=C2.CC(C)(C)c1ccccc1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1ccc(O)cc1C(C)(C)C.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;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene?
The InChIKey is HACWBRKMBAACMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H17N.C13H16.C12H16N2.C12H15N.C12H16O.2C12H18.C11H14ClF2N.C11H12ClFN2.C11H15Cl.C11H14N2.C11H16O.2C10H13FO.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;1-8-5-6-10-9(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)6-4-5-7(15)9(12)8(6)10(13)14;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;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-5-6-9(12)7-10(8)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)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,1-4H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;2*6-8H,1-5H3;4-5,10H,15H2,1-3H3;4-5H,1-3H3,(H,14,15);5-7H,1-4H3;4-7H,1-3H3,(H,12,13);5-7,12H,1-4H3;2*4-6,12H,1-3H3;4-8H,1-3H3;3H,1H2,2H3.
What are the key properties of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene?
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene has a molecular weight of 2918.49 g/mol, XLogP of 54.16, 1 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)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;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene is sourced from PubChem (CID 167579743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).