1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene

C203H298F2N6O4S — CID 167563242

IUPAC1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene
SMILESCC(=O)Cc1ccc(C(C)C)cc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1F.CC(C)c1ccccc1O.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cnn(C)c1.CCc1ccc(C(C)C)cc1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H20.C12H16O.C11H16.C10H14O.8C10H14.2C9H11F.C9H12O.C8H17N.C7H12N2.C7H11N.C7H15N.C7H11N.C7H10O.C7H10S/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;5*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7/h6-10H,1-5H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;8*4-8H,1-3H3;2*3-7H,1-2H3;3-7,10H,1-2H3;8H,3-7H2,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3
InChIKeyDYAZQABTUSVVLV-UHFFFAOYSA-N
MW2956.72 g/mol
LogP61.07
Rot. Bonds26

About 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene

1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene (PubChem CID 167563242) has the molecular formula C203H298F2N6O4S and a molecular weight of 2956.72 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene
PubChem CID167563242
Molecular FormulaC203H298F2N6O4S
Molecular Weight2956.72 g/mol
Exact Mass2954.30
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene
SMILESCC(=O)Cc1ccc(C(C)C)cc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1F.CC(C)c1ccccc1O.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cnn(C)c1.CCc1ccc(C(C)C)cc1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H20.C12H16O.C11H16.C10H14O.8C10H14.2C9H11F.C9H12O.C8H17N.C7H12N2.C7H11N.C7H15N.C7H11N.C7H10O.C7H10S/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;5*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7/h6-10H,1-5H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;8*4-8H,1-3H3;2*3-7H,1-2H3;3-7,10H,1-2H3;8H,3-7H2,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3
InChIKeyDYAZQABTUSVVLV-UHFFFAOYSA-N
XLogP61.07
TPSA115.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002956.72
LogP ≤ 561.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
N,N-dimethyl-4-(4-methylphenyl)aniline;2-(4-ethylphenyl)-5-methylthiophene;2-(4-methoxyphenyl)-5-methylthiophene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;1-methyl-3-phenylbenzene;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1-methyl-4-(trifluoromethoxy)benzene
CID 161982733
2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol
CID 162251204
cumene;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157157091
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157173412
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dimethylbenzene;bis(1,4-ditert-butyl-2-fluorobenzene);2,4-ditert-butylfuran;2,5-ditert-butylfuran;1,4-ditert-butyl-2-methylbenzene;2,6-ditert-butylnaphthalene;2,5-ditert-butylphenol;3,5-ditert-butyl-4H-pyrazole;2,5-ditert-butylpyridine;2,4-ditert-butyl-3H-pyrrole;1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene;bis(1,4-ditert-butyltriazole);bis(1,5-ditert-butyltriazole)
CID 157270098
2-tert-butylfuran;3-tert-butyloxolane;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157324493
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157847463
Cumene;2,6-dimethyl-3-propan-2-ylbenzonitrile;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-3-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylbenzonitrile;2-methyl-5-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine
CID 158042132
1-Tert-butyl-4-fluorobenzene;3-tert-butylphenol;2-fluoro-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158142095
3-Tert-butylaniline;2-fluoro-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylphenol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158183583
10-(3,4-Dimethylphenyl)-5-(4-methoxyphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;10-(furan-3-yl)-5-(4-methoxyphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;5-(4-methoxyphenyl)-10-(6-methyl-3-pyridinyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;4-[5-(4-methoxyphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]-2-methylphenol
CID 158367805

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene (CID 167563242) is 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene is CC(=O)Cc1ccc(C(C)C)cc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1F.CC(C)c1ccccc1O.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cnn(C)c1.CCc1ccc(C(C)C)cc1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene?
The InChIKey is DYAZQABTUSVVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H16O.C11H16.C10H14O.8C10H14.2C9H11F.C9H12O.C8H17N.C7H12N2.C7H11N.C7H15N.C7H11N.C7H10O.C7H10S/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;5*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7/h6-10H,1-5H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;8*4-8H,1-3H3;2*3-7H,1-2H3;3-7,10H,1-2H3;8H,3-7H2,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene?
1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene has a molecular weight of 2956.72 g/mol, XLogP of 61.07, 26 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene is sourced from PubChem (CID 167563242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).