1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole

C177H206N17O4S2+ — CID 160687969

IUPAC1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(-c2cncs2)cc1.CC(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(-n2ccnc2)cc1.CC(C)c1ccc(C2=CCC=N2)cc1.CC(C)c1ccc(C2C=N[NH+]=C2)cc1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/2C15H16.C13H19NO.C13H17NO.C13H15N.5C12H14N2.2C12H13NO.2C12H13NS/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h2*3-12H,1-2H3;3-6,11H,7-10H2,1-2H3;5-8,10H,3-4,9H2,1-2H3;4-10H,3H2,1-2H3;3-10H,1-2H3;3-9,12H,1-2H3;3-10H,1-2H3;2*3-9H,1-2H3,(H,13,14);4*3-9H,1-2H3/p+1
InChIKeyCDDLDMRLWZYKJF-UHFFFAOYSA-O
MW2699.84 g/mol
LogP46.40
Rot. Bonds28

About 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole

1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 160687969) has the molecular formula C177H206N17O4S2+ and a molecular weight of 2699.84 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID160687969
Molecular FormulaC177H206N17O4S2+
Molecular Weight2699.84 g/mol
Exact Mass2697.59
IUPAC Name1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(-c2cncs2)cc1.CC(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(-n2ccnc2)cc1.CC(C)c1ccc(C2=CCC=N2)cc1.CC(C)c1ccc(C2C=N[NH+]=C2)cc1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/2C15H16.C13H19NO.C13H17NO.C13H15N.5C12H14N2.2C12H13NO.2C12H13NS/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h2*3-12H,1-2H3;3-6,11H,7-10H2,1-2H3;5-8,10H,3-4,9H2,1-2H3;4-10H,3H2,1-2H3;3-10H,1-2H3;3-9,12H,1-2H3;3-10H,1-2H3;2*3-9H,1-2H3,(H,13,14);4*3-9H,1-2H3/p+1
InChIKeyCDDLDMRLWZYKJF-UHFFFAOYSA-O
XLogP46.40
TPSA242.31 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002699.84
LogP ≤ 546.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole with MolForge

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Related Compounds

CID 157164204
CID 157164204
CID 157902277
CID 157902277
N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene
CID 159111734
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
CID 160278972
CID 160278972
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 160347898
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol
CID 160710342
CID 161331998
CID 161331998
CID 161434547
CID 161434547
CID 161477868
CID 161477868
3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;bis(3,4-dimethylpyridine);2,4-dimethylpyrimidine;ethane;9-ethylcarbazole;4-ethylpiperidine;9H-fluorene;1H-indene;isoquinoline;2-methoxy-4-methylpyridine;9-methylacridine;bis(5-methyl-1H-imidazole);2-methyl-1H-indene;2-methyl-1,3-oxazole;5-methyl-1,10-phenanthroline;4-methylpiperidine;2-methylpyrazine;4-methylpyridine;3-methyl-1H-pyrrole;2-methylquinoline;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;4-methyl-2-(trifluoromethyl)pyridine;7H-purine;pyrazine;1H-pyrazolo[3,4-d]pyrimidine;pyrimidine;1H-pyrimidin-6-one;quinoline;quinoxaline;2,4,6-trimethylpyridine
CID 161592453

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole (CID 160687969) is 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(-c2cncs2)cc1.CC(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(-n2ccnc2)cc1.CC(C)c1ccc(C2=CCC=N2)cc1.CC(C)c1ccc(C2C=N[NH+]=C2)cc1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is CDDLDMRLWZYKJF-UHFFFAOYSA-O. The full InChI is InChI=1S/2C15H16.C13H19NO.C13H17NO.C13H15N.5C12H14N2.2C12H13NO.2C12H13NS/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h2*3-12H,1-2H3;3-6,11H,7-10H2,1-2H3;5-8,10H,3-4,9H2,1-2H3;4-10H,3H2,1-2H3;3-10H,1-2H3;3-9,12H,1-2H3;3-10H,1-2H3;2*3-9H,1-2H3,(H,13,14);4*3-9H,1-2H3/p+1.
What are the key properties of 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole?
1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 2699.84 g/mol, XLogP of 46.40, 28 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-4H-pyrazol-1-ium;5-(4-propan-2-ylphenyl)-3H-pyrrole;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-propan-2-ylphenyl)-1,3-thiazole;5-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 160687969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).