5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene

C225H287Cl3F14IN9O8 — CID 157444084

IUPAC5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)ccc1OC(F)F.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1I.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCOc1ccc(C#N)cc1C(C)C.CCOc1ccc(F)cc1C(C)C.COc1ccc(C#N)cc1C(C)C.COc1ccc(C(F)(F)F)cc1C(C)C.COc1ccc(C)nc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ncc(Cl)cc1C(C)C.Cc1ccc(C#N)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.[C-]#[N+]c1ccccc1C(C)C
InChIInChI=1S/C12H15NO.C11H13F3O.C11H15FO.C11H13NO.C11H13N.2C11H16.C10H11F3O.C10H11F3.C10H13FO.C10H15NO.C10H11N.C10H14.C9H12ClNO.2C9H11Cl.C9H10F2.C9H11F.C9H11I.C9H12.3C8H11N/c1-4-14-12-6-5-10(8-13)7-11(12)9(2)3;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-4-13-11-6-5-9(12)7-10(11)8(2)3;1-8(2)10-6-9(7-12)4-5-11(10)13-3;1-8(2)11-6-10(7-12)5-4-9(11)3;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-7(11)3-4-9(8)14-10(12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-9(12-4)6-5-8(3)11-10;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)8-3-5-9(10)6-4-8;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)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-7,9H,4H2,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,1-3H3;4-6,8H,1-3H3;2*5-8H,1-4H3;3-6,10H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-2H3;4-8H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyBSAAWIAAEOWOBT-UHFFFAOYSA-N
MW3745.06 g/mol
LogP70.81
Rot. Bonds34

About 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene

5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 157444084) has the molecular formula C225H287Cl3F14IN9O8 and a molecular weight of 3745.06 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID157444084
Molecular FormulaC225H287Cl3F14IN9O8
Molecular Weight3745.06 g/mol
Exact Mass3741.02
IUPAC Name5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)ccc1OC(F)F.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1I.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCOc1ccc(C#N)cc1C(C)C.CCOc1ccc(F)cc1C(C)C.COc1ccc(C#N)cc1C(C)C.COc1ccc(C(F)(F)F)cc1C(C)C.COc1ccc(C)nc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ncc(Cl)cc1C(C)C.Cc1ccc(C#N)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.[C-]#[N+]c1ccccc1C(C)C
InChIInChI=1S/C12H15NO.C11H13F3O.C11H15FO.C11H13NO.C11H13N.2C11H16.C10H11F3O.C10H11F3.C10H13FO.C10H15NO.C10H11N.C10H14.C9H12ClNO.2C9H11Cl.C9H10F2.C9H11F.C9H11I.C9H12.3C8H11N/c1-4-14-12-6-5-10(8-13)7-11(12)9(2)3;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-4-13-11-6-5-9(12)7-10(11)8(2)3;1-8(2)10-6-9(7-12)4-5-11(10)13-3;1-8(2)11-6-10(7-12)5-4-9(11)3;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-7(11)3-4-9(8)14-10(12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-9(12-4)6-5-8(3)11-10;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)8-3-5-9(10)6-4-8;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)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-7,9H,4H2,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,1-3H3;4-6,8H,1-3H3;2*5-8H,1-4H3;3-6,10H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-2H3;4-8H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyBSAAWIAAEOWOBT-UHFFFAOYSA-N
XLogP70.81
TPSA214.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms260
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003745.06
LogP ≤ 570.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 157444084) is 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)c1cc(F)ccc1OC(F)F.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1I.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCOc1ccc(C#N)cc1C(C)C.CCOc1ccc(F)cc1C(C)C.COc1ccc(C#N)cc1C(C)C.COc1ccc(C(F)(F)F)cc1C(C)C.COc1ccc(C)nc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ncc(Cl)cc1C(C)C.Cc1ccc(C#N)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.[C-]#[N+]c1ccccc1C(C)C.
What is the InChIKey of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is BSAAWIAAEOWOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C11H13F3O.C11H15FO.C11H13NO.C11H13N.2C11H16.C10H11F3O.C10H11F3.C10H13FO.C10H15NO.C10H11N.C10H14.C9H12ClNO.2C9H11Cl.C9H10F2.C9H11F.C9H11I.C9H12.3C8H11N/c1-4-14-12-6-5-10(8-13)7-11(12)9(2)3;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-4-13-11-6-5-9(12)7-10(11)8(2)3;1-8(2)10-6-9(7-12)4-5-11(10)13-3;1-8(2)11-6-10(7-12)5-4-9(11)3;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-7(11)3-4-9(8)14-10(12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-9(12-4)6-5-8(3)11-10;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)8-3-5-9(10)6-4-8;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)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-7,9H,4H2,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,1-3H3;4-6,8H,1-3H3;2*5-8H,1-4H3;3-6,10H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-2H3;4-8H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 3745.06 g/mol, XLogP of 70.81, 34 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 157444084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).