1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene

C211H246N10O2S — CID 167585282

IUPAC1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccc[nH]2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(-c2ccnn2C)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc(-c2cnn(C)c2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CCc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C17H20.2C16H18.2C15H16.2C14H15N.2C13H16N2.C13H19NO.C13H15N.C13H19N.C13H15N.C13H14O.C13H14S/c1-4-14-8-10-15(11-9-14)17-7-5-6-16(12-17)13(2)3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-5-4-6-12(7-11)13-8-14-15(3)9-13;1-10(2)11-5-4-6-12(9-11)13-7-8-14-15(13)3;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13/h5-13H,4H2,1-3H3;2*4-12H,1-3H3;2*3-12H,1-2H3;2*3-11H,1-2H3;2*4-10H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-10,14H,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-10,14H,1-2H3;2*3-10H,1-2H3
InChIKeyHSGXOTDHBSXXEJ-UHFFFAOYSA-N
MW2986.42 g/mol
LogP60.00
Rot. Bonds31

About 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene

1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene (PubChem CID 167585282) has the molecular formula C211H246N10O2S and a molecular weight of 2986.42 g/mol. Its IUPAC name is 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene.

Molecular Properties

Compound Name1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene
PubChem CID167585282
Molecular FormulaC211H246N10O2S
Molecular Weight2986.42 g/mol
Exact Mass2983.92
IUPAC Name1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccc[nH]2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(-c2ccnn2C)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc(-c2cnn(C)c2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CCc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C17H20.2C16H18.2C15H16.2C14H15N.2C13H16N2.C13H19NO.C13H15N.C13H19N.C13H15N.C13H14O.C13H14S/c1-4-14-8-10-15(11-9-14)17-7-5-6-16(12-17)13(2)3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-5-4-6-12(7-11)13-8-14-15(3)9-13;1-10(2)11-5-4-6-12(9-11)13-7-8-14-15(13)3;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13/h5-13H,4H2,1-3H3;2*4-12H,1-3H3;2*3-12H,1-2H3;2*3-11H,1-2H3;2*4-10H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-10,14H,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-10,14H,1-2H3;2*3-10H,1-2H3
InChIKeyHSGXOTDHBSXXEJ-UHFFFAOYSA-N
XLogP60.00
TPSA121.85 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds31
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002986.42
LogP ≤ 560.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene with MolForge

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Related Compounds

2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;methane;1-methoxybut-2-ene;2-methyl-1-benzofuran;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;2-methylpyridine;1-methylpyrrolidine;5-methyl-2-(trifluoromethyl)pyridine;toluene;1,1,1-trifluoroethane
CID 159130869
2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;1-methoxybut-2-ene;2-methyl-1-benzofuran;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;2-methylpyridine;1-methylpyrrolidine;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 159217144
2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160698116
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
2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;methane;1-methoxybut-2-ene;2-methyl-1-benzofuran;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;2-methylpyridine;1-methylpyrrolidine;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 162110213
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
2-[4-(1H-benzotriazol-4-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-2-thiophen-2-yl-1-benzothiophen-7-yl]quinoxaline
CID 141108456
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157116552
tert-butylcyclohexane;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;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;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157153695
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
tert-butylcyclohexane;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;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;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157172469

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene?
The IUPAC name of 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene (CID 167585282) is 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene.
What is the SMILES notation for 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene?
The canonical SMILES for 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene is CC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccc[nH]2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(-c2ccnn2C)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc(-c2cnn(C)c2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CCc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccccc1-c1cccc(C(C)C)c1.
What is the InChIKey of 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene?
The InChIKey is HSGXOTDHBSXXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.2C16H18.2C15H16.2C14H15N.2C13H16N2.C13H19NO.C13H15N.C13H19N.C13H15N.C13H14O.C13H14S/c1-4-14-8-10-15(11-9-14)17-7-5-6-16(12-17)13(2)3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-5-4-6-12(7-11)13-8-14-15(3)9-13;1-10(2)11-5-4-6-12(9-11)13-7-8-14-15(13)3;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13/h5-13H,4H2,1-3H3;2*4-12H,1-3H3;2*3-12H,1-2H3;2*3-11H,1-2H3;2*4-10H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-10,14H,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-10,14H,1-2H3;2*3-10H,1-2H3.
What are the key properties of 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene?
1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene has a molecular weight of 2986.42 g/mol, XLogP of 60.00, 31 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;bis(1-phenyl-3-propan-2-ylbenzene);2-(3-propan-2-ylphenyl)furan;4-(3-propan-2-ylphenyl)morpholine;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;1-(3-propan-2-ylphenyl)pyrrolidine;3-(3-propan-2-ylphenyl)thiophene is sourced from PubChem (CID 167585282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).