1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one

C169H227Cl4F10NO30 — CID 158587189

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one
SMILESCC(C)C(=O)C(C)(C)C.CC(C)C(=O)C(C)C(C)C(=O)O.CC(C)C(=O)C1CC1.CC(C)C(=O)CC(=O)O.CC(C)C(=O)CC(C)(C)CC(=O)O.CC(C)C(=O)CC(CC(=O)O)C1CCCCC1.CC(C)C(=O)c1cc(Cl)c(Cl)cc1C(=O)O.CC(C)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.CC(C)C(=O)c1ccc(Cl)cc1Cl.CC(C)C(=O)c1ccc(F)cc1C(F)(F)F.CC(C)C(=O)c1ccccc1-c1ccccc1.CC(C)C(=O)c1ccccc1C(N)=O.CC(CC(=O)O)CC(=O)C(C)C.COc1ccccc1C(=O)C(C)C.Cc1ccc(C(=O)C(C)C)c(C)c1.Cc1cccc(C(=O)C(C)C)c1C
InChIInChI=1S/C16H16O.C14H24O3.C12H10F6O.2C12H16O.C11H10Cl2O3.C11H10F4O.C11H13NO2.C11H14O2.C10H10Cl2O.C10H18O3.2C9H16O3.C8H16O.C7H12O.C6H10O3/c1-12(2)16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-10(2)13(15)8-12(9-14(16)17)11-6-4-3-5-7-11;1-6(2)10(19)8-4-3-7(11(13,14)15)5-9(8)12(16,17)18;1-8(2)12(13)11-6-5-9(3)7-10(11)4;1-8(2)12(13)11-7-5-6-9(3)10(11)4;1-5(2)10(14)6-3-8(12)9(13)4-7(6)11(15)16;1-6(2)10(16)8-4-3-7(12)5-9(8)11(13,14)15;1-7(2)10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)11(12)9-6-4-5-7-10(9)13-3;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)8(11)5-10(3,4)6-9(12)13;1-6(2)8(10)4-7(3)5-9(11)12;1-5(2)8(10)6(3)7(4)9(11)12;1-6(2)7(9)8(3,4)5;1-5(2)7(8)6-3-4-6;1-4(2)5(7)3-6(8)9/h3-12H,1-2H3;10-12H,3-9H2,1-2H3,(H,16,17);3-6H,1-2H3;2*5-8H,1-4H3;3-5H,1-2H3,(H,15,16);3-6H,1-2H3;3-7H,1-2H3,(H2,12,14);4-8H,1-3H3;3-6H,1-2H3;7H,5-6H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3,(H,11,12);6H,1-5H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3,(H,8,9)
InChIKeyHTYYSROHYYDJQW-UHFFFAOYSA-N
MW3084.44 g/mol
LogP43.46
Rot. Bonds48

About 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one

1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one (PubChem CID 158587189) has the molecular formula C169H227Cl4F10NO30 and a molecular weight of 3084.44 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one
PubChem CID158587189
Molecular FormulaC169H227Cl4F10NO30
Molecular Weight3084.44 g/mol
Exact Mass3080.49
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one
SMILESCC(C)C(=O)C(C)(C)C.CC(C)C(=O)C(C)C(C)C(=O)O.CC(C)C(=O)C1CC1.CC(C)C(=O)CC(=O)O.CC(C)C(=O)CC(C)(C)CC(=O)O.CC(C)C(=O)CC(CC(=O)O)C1CCCCC1.CC(C)C(=O)c1cc(Cl)c(Cl)cc1C(=O)O.CC(C)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.CC(C)C(=O)c1ccc(Cl)cc1Cl.CC(C)C(=O)c1ccc(F)cc1C(F)(F)F.CC(C)C(=O)c1ccccc1-c1ccccc1.CC(C)C(=O)c1ccccc1C(N)=O.CC(CC(=O)O)CC(=O)C(C)C.COc1ccccc1C(=O)C(C)C.Cc1ccc(C(=O)C(C)C)c(C)c1.Cc1cccc(C(=O)C(C)C)c1C
InChIInChI=1S/C16H16O.C14H24O3.C12H10F6O.2C12H16O.C11H10Cl2O3.C11H10F4O.C11H13NO2.C11H14O2.C10H10Cl2O.C10H18O3.2C9H16O3.C8H16O.C7H12O.C6H10O3/c1-12(2)16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-10(2)13(15)8-12(9-14(16)17)11-6-4-3-5-7-11;1-6(2)10(19)8-4-3-7(11(13,14)15)5-9(8)12(16,17)18;1-8(2)12(13)11-6-5-9(3)7-10(11)4;1-8(2)12(13)11-7-5-6-9(3)10(11)4;1-5(2)10(14)6-3-8(12)9(13)4-7(6)11(15)16;1-6(2)10(16)8-4-3-7(12)5-9(8)11(13,14)15;1-7(2)10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)11(12)9-6-4-5-7-10(9)13-3;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)8(11)5-10(3,4)6-9(12)13;1-6(2)8(10)4-7(3)5-9(11)12;1-5(2)8(10)6(3)7(4)9(11)12;1-6(2)7(9)8(3,4)5;1-5(2)7(8)6-3-4-6;1-4(2)5(7)3-6(8)9/h3-12H,1-2H3;10-12H,3-9H2,1-2H3,(H,16,17);3-6H,1-2H3;2*5-8H,1-4H3;3-5H,1-2H3,(H,15,16);3-6H,1-2H3;3-7H,1-2H3,(H2,12,14);4-8H,1-3H3;3-6H,1-2H3;7H,5-6H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3,(H,11,12);6H,1-5H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3,(H,8,9)
InChIKeyHTYYSROHYYDJQW-UHFFFAOYSA-N
XLogP43.46
TPSA549.24 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003084.44
LogP ≤ 543.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one (CID 158587189) is 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one is CC(C)C(=O)C(C)(C)C.CC(C)C(=O)C(C)C(C)C(=O)O.CC(C)C(=O)C1CC1.CC(C)C(=O)CC(=O)O.CC(C)C(=O)CC(C)(C)CC(=O)O.CC(C)C(=O)CC(CC(=O)O)C1CCCCC1.CC(C)C(=O)c1cc(Cl)c(Cl)cc1C(=O)O.CC(C)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.CC(C)C(=O)c1ccc(Cl)cc1Cl.CC(C)C(=O)c1ccc(F)cc1C(F)(F)F.CC(C)C(=O)c1ccccc1-c1ccccc1.CC(C)C(=O)c1ccccc1C(N)=O.CC(CC(=O)O)CC(=O)C(C)C.COc1ccccc1C(=O)C(C)C.Cc1ccc(C(=O)C(C)C)c(C)c1.Cc1cccc(C(=O)C(C)C)c1C.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one?
The InChIKey is HTYYSROHYYDJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C14H24O3.C12H10F6O.2C12H16O.C11H10Cl2O3.C11H10F4O.C11H13NO2.C11H14O2.C10H10Cl2O.C10H18O3.2C9H16O3.C8H16O.C7H12O.C6H10O3/c1-12(2)16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-10(2)13(15)8-12(9-14(16)17)11-6-4-3-5-7-11;1-6(2)10(19)8-4-3-7(11(13,14)15)5-9(8)12(16,17)18;1-8(2)12(13)11-6-5-9(3)7-10(11)4;1-8(2)12(13)11-7-5-6-9(3)10(11)4;1-5(2)10(14)6-3-8(12)9(13)4-7(6)11(15)16;1-6(2)10(16)8-4-3-7(12)5-9(8)11(13,14)15;1-7(2)10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)11(12)9-6-4-5-7-10(9)13-3;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)8(11)5-10(3,4)6-9(12)13;1-6(2)8(10)4-7(3)5-9(11)12;1-5(2)8(10)6(3)7(4)9(11)12;1-6(2)7(9)8(3,4)5;1-5(2)7(8)6-3-4-6;1-4(2)5(7)3-6(8)9/h3-12H,1-2H3;10-12H,3-9H2,1-2H3,(H,16,17);3-6H,1-2H3;2*5-8H,1-4H3;3-5H,1-2H3,(H,15,16);3-6H,1-2H3;3-7H,1-2H3,(H2,12,14);4-8H,1-3H3;3-6H,1-2H3;7H,5-6H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3,(H,11,12);6H,1-5H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3,(H,8,9).
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one?
1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one has a molecular weight of 3084.44 g/mol, XLogP of 43.46, 48 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]-2-methylpropan-1-one;3-cyclohexyl-6-methyl-5-oxoheptanoic acid;1-cyclopropyl-2-methylpropan-1-one;4,5-dichloro-2-(2-methylpropanoyl)benzoic acid;1-(2,4-dichlorophenyl)-2-methylpropan-1-one;3,6-dimethyl-5-oxoheptanoic acid;1-(2,3-dimethylphenyl)-2-methylpropan-1-one;1-(2,4-dimethylphenyl)-2-methylpropan-1-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-(2-methoxyphenyl)-2-methylpropan-1-one;4-methyl-3-oxopentanoic acid;2-methyl-1-(2-phenylphenyl)propan-1-one;2-(2-methylpropanoyl)benzamide;3,3,6-trimethyl-5-oxoheptanoic acid;2,3,5-trimethyl-4-oxohexanoic acid;2,2,4-trimethylpentan-3-one is sourced from PubChem (CID 158587189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).