1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine

C167H213Cl3F5N11O — CID 158235906

IUPAC1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H13N.C11H14N2.C10H12N2.C10H11NO.3C10H14.3C9H11Cl.C9H10F2.3C9H11F.C9H12.C8H11N.C7H12N2.C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-8(2)10-6-4-9(3)5-7-10;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;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3*4-8H,1-3H3;3*3-7H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyGEYNMSSUXGAINE-UHFFFAOYSA-N
MW2591.97 g/mol
LogP51.53
Rot. Bonds18

About 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine

1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine (PubChem CID 158235906) has the molecular formula C167H213Cl3F5N11O and a molecular weight of 2591.97 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
PubChem CID158235906
Molecular FormulaC167H213Cl3F5N11O
Molecular Weight2591.97 g/mol
Exact Mass2588.59
IUPAC Name1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H13N.C11H14N2.C10H12N2.C10H11NO.3C10H14.3C9H11Cl.C9H10F2.3C9H11F.C9H12.C8H11N.C7H12N2.C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-8(2)10-6-4-9(3)5-7-10;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;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3*4-8H,1-3H3;3*3-7H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyGEYNMSSUXGAINE-UHFFFAOYSA-N
XLogP51.53
TPSA141.91 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002591.97
LogP ≤ 551.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-6-pyridin-2-yl-1-quinolin-2-yl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinolin-3-yl]-1,2-benzoxazole
CID 141151178
3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 157640980
7-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-4-chloro-1-methylindazol-3-amine;(7-tert-butyl-4-chloro-1-methylindazol-3-yl)methanesulfonamide;7-tert-butyl-3-(3,3-difluoropropyl)-1-methylindazole;7-tert-butyl-1,4-dimethylindazol-3-amine;(7-tert-butyl-1,4-dimethylindazol-3-yl)methanesulfonamide;7-tert-butyl-3-ethyl-1-methylindazole;8-tert-butyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1H-indazole;5-tert-butylisoquinolin-1-amine;(7-tert-butyl-1-methylindazol-3-yl)methanesulfonamide;N-(7-tert-butyl-1-methylindazol-3-yl)-4-methylpiperazine-1-sulfonamide
CID 157923249
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157997250
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158051058
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158176761
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158192583
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;2-methyl-1,8-naphthyridine;6-methylquinazolin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158197970
1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158277353
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-methyl-3-propan-2-ylindazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline
CID 158577746
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;2-chloro-6-methylquinoline;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158709610
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158747038

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine (CID 158235906) is 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine is CC(C)c1[nH]nc2ccccc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The InChIKey is GEYNMSSUXGAINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H14N2.C10H12N2.C10H11NO.3C10H14.3C9H11Cl.C9H10F2.3C9H11F.C9H12.C8H11N.C7H12N2.C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-8(2)10-6-4-9(3)5-7-10;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;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3*4-8H,1-3H3;3*3-7H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine has a molecular weight of 2591.97 g/mol, XLogP of 51.53, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine is sourced from PubChem (CID 158235906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).