1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine

C220H281ClF15N13O17 — CID 158458698

IUPAC1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine
SMILESCC(C)C(=O)Cc1ccccc1C(=O)O.CC(C)C(=O)Cc1ccccc1C(F)(F)F.CC(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(=O)c1cnccc1C(F)(F)F.CC(C)CCc1ccccc1C(F)(F)F.CC(C)c1ncccn1.CCc1ccc(CC(=O)C(C)C)c(C(=O)O)c1.Cc1cc(C(=O)C(C)C)ccc1Cl.Cc1cc(C(=O)C(C)C)ccc1F.Cc1cc(C(=O)C(C)C)ccn1.Cc1cc(C)nc(C(C)C)n1.Cc1ccc(C(=O)C(C)C)c(F)c1.Cc1ccc(C(=O)C(C)C)cc1F.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CC(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1ccnc(C(=O)C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.C11H11F3O.3C11H13FO.2C11H14O.C11H16.C10H10F3NO.2C10H13NO.C9H14N2.3C8H12N2.C7H10N2/c1-4-10-5-6-11(8-13(15)9(2)3)12(7-10)14(16)17;1-8(2)11(16)7-9-5-3-4-6-10(9)12(13,14)15;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-8(2)11(13)7-9-5-3-4-6-10(9)12(14)15;1-10(2)7-8-12-6-4-5-11(3)9-12;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-7(2)11(13)9-5-4-8(3)10(12)6-9;1-7(2)11(13)9-5-4-8(3)6-10(9)12;2*1-8(2)11(12)10-6-4-5-9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-6(2)9(15)7-5-14-4-3-8(7)10(11,12)13;1-7(2)10(12)9-4-5-11-8(3)6-9;1-7(2)10(12)9-6-8(3)4-5-11-9;1-6(2)9-10-7(3)5-8(4)11-9;3*1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-8-4-3-5-9-7/h5-7,9H,4,8H2,1-3H3,(H,16,17);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;2*4-8H,1-3H3;4-6,8-9H,7H2,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3
InChIKeyHEWUMSQXZJQUFP-UHFFFAOYSA-N
MW3700.16 g/mol
LogP57.97
Rot. Bonds45

About 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine

1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine (PubChem CID 158458698) has the molecular formula C220H281ClF15N13O17 and a molecular weight of 3700.16 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine
PubChem CID158458698
Molecular FormulaC220H281ClF15N13O17
Molecular Weight3700.16 g/mol
Exact Mass3697.10
IUPAC Name1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine
SMILESCC(C)C(=O)Cc1ccccc1C(=O)O.CC(C)C(=O)Cc1ccccc1C(F)(F)F.CC(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(=O)c1cnccc1C(F)(F)F.CC(C)CCc1ccccc1C(F)(F)F.CC(C)c1ncccn1.CCc1ccc(CC(=O)C(C)C)c(C(=O)O)c1.Cc1cc(C(=O)C(C)C)ccc1Cl.Cc1cc(C(=O)C(C)C)ccc1F.Cc1cc(C(=O)C(C)C)ccn1.Cc1cc(C)nc(C(C)C)n1.Cc1ccc(C(=O)C(C)C)c(F)c1.Cc1ccc(C(=O)C(C)C)cc1F.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CC(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1ccnc(C(=O)C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.C11H11F3O.3C11H13FO.2C11H14O.C11H16.C10H10F3NO.2C10H13NO.C9H14N2.3C8H12N2.C7H10N2/c1-4-10-5-6-11(8-13(15)9(2)3)12(7-10)14(16)17;1-8(2)11(16)7-9-5-3-4-6-10(9)12(13,14)15;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-8(2)11(13)7-9-5-3-4-6-10(9)12(14)15;1-10(2)7-8-12-6-4-5-11(3)9-12;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-7(2)11(13)9-5-4-8(3)10(12)6-9;1-7(2)11(13)9-5-4-8(3)6-10(9)12;2*1-8(2)11(12)10-6-4-5-9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-6(2)9(15)7-5-14-4-3-8(7)10(11,12)13;1-7(2)10(12)9-4-5-11-8(3)6-9;1-7(2)10(12)9-6-8(3)4-5-11-9;1-6(2)9-10-7(3)5-8(4)11-9;3*1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-8-4-3-5-9-7/h5-7,9H,4,8H2,1-3H3,(H,16,17);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;2*4-8H,1-3H3;4-6,8-9H,7H2,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3
InChIKeyHEWUMSQXZJQUFP-UHFFFAOYSA-N
XLogP57.97
TPSA464.08 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003700.16
LogP ≤ 557.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157273685
(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157756266
CID 158150959
CID 158150959
1-(4-Chloro-3-methylphenyl)-2-methylpropan-1-one;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 158947177
1-(4-Chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine
CID 159572659
CID 159881536
CID 159881536
CID 159938070
CID 159938070
Tris(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 160111438
(4-Chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methanamine;3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-1-(4-pyrimidin-5-ylphenyl)propan-1-one;methane;(2-methyl-4-pyridinyl)boronic acid;4-pyrimidin-5-ylbenzoic acid
CID 157890973
1-[2-Chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-ethylphenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-methylphenyl)-2-propan-2-ylpyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone
CID 158240550

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine (CID 158458698) is 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine is CC(C)C(=O)Cc1ccccc1C(=O)O.CC(C)C(=O)Cc1ccccc1C(F)(F)F.CC(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(=O)c1cnccc1C(F)(F)F.CC(C)CCc1ccccc1C(F)(F)F.CC(C)c1ncccn1.CCc1ccc(CC(=O)C(C)C)c(C(=O)O)c1.Cc1cc(C(=O)C(C)C)ccc1Cl.Cc1cc(C(=O)C(C)C)ccc1F.Cc1cc(C(=O)C(C)C)ccn1.Cc1cc(C)nc(C(C)C)n1.Cc1ccc(C(=O)C(C)C)c(F)c1.Cc1ccc(C(=O)C(C)C)cc1F.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CC(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1ccnc(C(=O)C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine?
The InChIKey is HEWUMSQXZJQUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.C11H11F3O.3C11H13FO.2C11H14O.C11H16.C10H10F3NO.2C10H13NO.C9H14N2.3C8H12N2.C7H10N2/c1-4-10-5-6-11(8-13(15)9(2)3)12(7-10)14(16)17;1-8(2)11(16)7-9-5-3-4-6-10(9)12(13,14)15;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-8(2)11(13)7-9-5-3-4-6-10(9)12(14)15;1-10(2)7-8-12-6-4-5-11(3)9-12;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-7(2)11(13)9-5-4-8(3)10(12)6-9;1-7(2)11(13)9-5-4-8(3)6-10(9)12;2*1-8(2)11(12)10-6-4-5-9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-6(2)9(15)7-5-14-4-3-8(7)10(11,12)13;1-7(2)10(12)9-4-5-11-8(3)6-9;1-7(2)10(12)9-6-8(3)4-5-11-9;1-6(2)9-10-7(3)5-8(4)11-9;3*1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-8-4-3-5-9-7/h5-7,9H,4,8H2,1-3H3,(H,16,17);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;2*4-8H,1-3H3;4-6,8-9H,7H2,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine?
1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine has a molecular weight of 3700.16 g/mol, XLogP of 57.97, 45 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine is sourced from PubChem (CID 158458698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).