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

C173H220ClF15N2O16 — CID 158947177

IUPAC1-(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
SMILESC.C.C.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.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.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
InChIInChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.C11H11F3O.3C11H13FO.2C11H14O.C11H16.C10H10F3NO.C10H13NO.3CH4/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;;;/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;4-7H,1-3H3;3*1H4
InChIKeyJKYUCAXWRKSWDQ-UHFFFAOYSA-N
MW2904.08 g/mol
LogP48.10
Rot. Bonds38

About 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

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 (PubChem CID 158947177) has the molecular formula C173H220ClF15N2O16 and a molecular weight of 2904.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158947177
Molecular FormulaC173H220ClF15N2O16
Molecular Weight2904.08 g/mol
Exact Mass2901.59
IUPAC Name1-(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
SMILESC.C.C.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.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.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
InChIInChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.C11H11F3O.3C11H13FO.2C11H14O.C11H16.C10H10F3NO.C10H13NO.3CH4/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;;;/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;4-7H,1-3H3;3*1H4
InChIKeyJKYUCAXWRKSWDQ-UHFFFAOYSA-N
XLogP48.10
TPSA305.22 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002904.08
LogP ≤ 548.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[3-[4-[2-[3-[2-(4-Carboxyphenyl)-4-pyridinyl]-4,4,4-trifluoro-3-hydroxybutan-2-yl]-3-chloro-4-methoxycarbonylphenyl]phenyl]-1,1,1-trifluoro-2-hydroxybutan-2-yl]-2-pyridinyl]benzoic acid
CID 87114445
4-[4-[3-[4-[2-[3-[2-(4-Carboxyphenyl)-4-pyridinyl]-4,4,4-trifluoro-3-hydroxybutan-2-yl]-4-methoxycarbonylphenyl]-2-chlorophenyl]-1,1,1-trifluoro-2-hydroxybutan-2-yl]-2-pyridinyl]benzoic acid
CID 87149615
4-[3-Chloro-4-[3-[3-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(2-methyl-4-pyridinyl)butan-2-yl]phenyl]benzoyl]oxy-4,4,4-trifluoro-3-(2-methyl-4-pyridinyl)butan-2-yl]phenyl]benzoic acid
CID 90934955
5-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-2-[[4-(4-chlorophenyl)-6-(trifluoromethyl)-2,3-dihydropyridin-3-yl]methyl]benzoic acid
CID 91583729
4-[4-[(1R)-3-(2-chloro-4-pyridinyl)-1-(2-methylphenyl)-3-[4-[4-[(1R)-1-(2-methylphenyl)-3-nitroso-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]phenyl]benzoyl]oxyiminopropyl]phenyl]benzoic acid
CID 123460538
4-[4-[(3E)-1-(4-chloro-2-fluorophenyl)-3-hydroxyimino-3-(2-methyl-4-pyridinyl)propyl]phenyl]-3-methylbenzoic acid
CID 136166889
4-[4-[(3Z)-1-(4-chloro-2-fluorophenyl)-3-hydroxyimino-3-(2-methyl-4-pyridinyl)propyl]phenyl]-3-methylbenzoic acid
CID 136367915
2-[(3-Chloro-2-methylphenyl)methyl]benzoic acid;2-[(2,6-dichloro-3-methylphenyl)methyl]benzoic acid;2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 158035667
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
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
2-[(3-Chloro-2-methylphenyl)methyl]benzoic acid;2-[(2,6-dichloro-3-methylphenyl)methyl]benzoic acid;2-[(2,3-dimethylphenyl)methyl]benzoic acid;2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 160973879
4-[4-[1-(4-Chloro-2-fluorophenyl)-3-hydroxyimino-3-(2-methyl-4-pyridinyl)propyl]phenyl]-3-methylbenzoic acid
CID 173039105

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.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.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.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.
What is the InChIKey of 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?
The InChIKey is JKYUCAXWRKSWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.C11H11F3O.3C11H13FO.2C11H14O.C11H16.C10H10F3NO.C10H13NO.3CH4/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;;;/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;4-7H,1-3H3;3*1H4.
What are the key properties of 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?
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 has a molecular weight of 2904.08 g/mol, XLogP of 48.10, 38 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158947177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).