4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one

C224H275BrCl4F16O19 — CID 158693254

IUPAC4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one
SMILESCC(C)C(=O)C(C)Cc1ccccc1.CC(C)C(=O)C(Cc1ccccc1)C(C)(C)C.CC(C)C(=O)C(c1ccccc1)c1ccccc1.CC(C)C(=O)CC(C)(C)C.CC(C)C(=O)CC(c1ccccc1)c1ccccc1.CC(C)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)C(=O)Cc1cc(F)cc(F)c1.CC(C)C(=O)Cc1ccc(Br)cc1.CC(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)Cc1ccc(Cl)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cl)cc1.CC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Cc1cccc(Cl)c1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1cccc(O)c1.CCC(C(=O)C(C)C)c1ccccc1.Cc1cc(C)cc(CC(=O)C(C)C)c1
InChIInChI=1S/C18H20O.C17H18O.C16H24O.C13H12F6O.3C13H18O.2C12H13F3O.C11H13BrO.C11H12Cl2O.2C11H13ClO.C11H12F2O.2C11H13FO.C11H14O2.C9H18O/c1-14(2)18(19)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)15(17)14(16(3,4)5)11-13-9-7-6-8-10-13;1-7(2)11(20)5-8-3-9(12(14,15)16)6-10(4-8)13(17,18)19;1-9(2)13(14)8-12-6-10(3)5-11(4)7-12;1-10(2)13(14)11(3)9-12-7-5-4-6-8-12;1-4-12(13(14)10(2)3)11-8-6-5-7-9-11;1-8(2)11(16)7-9-3-5-10(6-4-9)12(13,14)15;1-8(2)11(16)7-9-4-3-5-10(6-9)12(13,14)15;1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-7(2)11(14)6-8-3-4-9(12)10(13)5-8;1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-7(2)11(14)5-8-3-9(12)6-10(13)4-8;1-8(2)11(13)7-9-3-5-10(12)6-4-9;2*1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-7(2)8(10)6-9(3,4)5/h3-12,14,17H,13H2,1-2H3;3-13,16H,1-2H3;6-10,12,14H,11H2,1-5H3;3-4,6-7H,5H2,1-2H3;5-7,9H,8H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-10,12H,4H2,1-3H3;2*3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;7H,6H2,1-5H3
InChIKeyIGPRYYICROGVID-UHFFFAOYSA-N
MW3797.33 g/mol
LogP59.52
Rot. Bonds59

About 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one

4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one (PubChem CID 158693254) has the molecular formula C224H275BrCl4F16O19 and a molecular weight of 3797.33 g/mol. Its IUPAC name is 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one.

Molecular Properties

Compound Name4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one
PubChem CID158693254
Molecular FormulaC224H275BrCl4F16O19
Molecular Weight3797.33 g/mol
Exact Mass3791.82
IUPAC Name4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one
SMILESCC(C)C(=O)C(C)Cc1ccccc1.CC(C)C(=O)C(Cc1ccccc1)C(C)(C)C.CC(C)C(=O)C(c1ccccc1)c1ccccc1.CC(C)C(=O)CC(C)(C)C.CC(C)C(=O)CC(c1ccccc1)c1ccccc1.CC(C)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)C(=O)Cc1cc(F)cc(F)c1.CC(C)C(=O)Cc1ccc(Br)cc1.CC(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)Cc1ccc(Cl)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cl)cc1.CC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Cc1cccc(Cl)c1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1cccc(O)c1.CCC(C(=O)C(C)C)c1ccccc1.Cc1cc(C)cc(CC(=O)C(C)C)c1
InChIInChI=1S/C18H20O.C17H18O.C16H24O.C13H12F6O.3C13H18O.2C12H13F3O.C11H13BrO.C11H12Cl2O.2C11H13ClO.C11H12F2O.2C11H13FO.C11H14O2.C9H18O/c1-14(2)18(19)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)15(17)14(16(3,4)5)11-13-9-7-6-8-10-13;1-7(2)11(20)5-8-3-9(12(14,15)16)6-10(4-8)13(17,18)19;1-9(2)13(14)8-12-6-10(3)5-11(4)7-12;1-10(2)13(14)11(3)9-12-7-5-4-6-8-12;1-4-12(13(14)10(2)3)11-8-6-5-7-9-11;1-8(2)11(16)7-9-3-5-10(6-4-9)12(13,14)15;1-8(2)11(16)7-9-4-3-5-10(6-9)12(13,14)15;1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-7(2)11(14)6-8-3-4-9(12)10(13)5-8;1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-7(2)11(14)5-8-3-9(12)6-10(13)4-8;1-8(2)11(13)7-9-3-5-10(12)6-4-9;2*1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-7(2)8(10)6-9(3,4)5/h3-12,14,17H,13H2,1-2H3;3-13,16H,1-2H3;6-10,12,14H,11H2,1-5H3;3-4,6-7H,5H2,1-2H3;5-7,9H,8H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-10,12H,4H2,1-3H3;2*3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;7H,6H2,1-5H3
InChIKeyIGPRYYICROGVID-UHFFFAOYSA-N
XLogP59.52
TPSA327.49 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds59
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003797.33
LogP ≤ 559.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
The IUPAC name of 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one (CID 158693254) is 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one.
What is the SMILES notation for 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
The canonical SMILES for 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one is CC(C)C(=O)C(C)Cc1ccccc1.CC(C)C(=O)C(Cc1ccccc1)C(C)(C)C.CC(C)C(=O)C(c1ccccc1)c1ccccc1.CC(C)C(=O)CC(C)(C)C.CC(C)C(=O)CC(c1ccccc1)c1ccccc1.CC(C)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)C(=O)Cc1cc(F)cc(F)c1.CC(C)C(=O)Cc1ccc(Br)cc1.CC(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)Cc1ccc(Cl)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cl)cc1.CC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Cc1cccc(Cl)c1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1cccc(O)c1.CCC(C(=O)C(C)C)c1ccccc1.Cc1cc(C)cc(CC(=O)C(C)C)c1.
What is the InChIKey of 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
The InChIKey is IGPRYYICROGVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O.C17H18O.C16H24O.C13H12F6O.3C13H18O.2C12H13F3O.C11H13BrO.C11H12Cl2O.2C11H13ClO.C11H12F2O.2C11H13FO.C11H14O2.C9H18O/c1-14(2)18(19)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)15(17)14(16(3,4)5)11-13-9-7-6-8-10-13;1-7(2)11(20)5-8-3-9(12(14,15)16)6-10(4-8)13(17,18)19;1-9(2)13(14)8-12-6-10(3)5-11(4)7-12;1-10(2)13(14)11(3)9-12-7-5-4-6-8-12;1-4-12(13(14)10(2)3)11-8-6-5-7-9-11;1-8(2)11(16)7-9-3-5-10(6-4-9)12(13,14)15;1-8(2)11(16)7-9-4-3-5-10(6-9)12(13,14)15;1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-7(2)11(14)6-8-3-4-9(12)10(13)5-8;1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-7(2)11(14)5-8-3-9(12)6-10(13)4-8;1-8(2)11(13)7-9-3-5-10(12)6-4-9;2*1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-7(2)8(10)6-9(3,4)5/h3-12,14,17H,13H2,1-2H3;3-13,16H,1-2H3;6-10,12,14H,11H2,1-5H3;3-4,6-7H,5H2,1-2H3;5-7,9H,8H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-10,12H,4H2,1-3H3;2*3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;7H,6H2,1-5H3.
What are the key properties of 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one has a molecular weight of 3797.33 g/mol, XLogP of 59.52, 59 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,5,5-trimethylhexan-3-one;1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,4-dichlorophenyl)-3-methylbutan-2-one;1-(3,5-difluorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;2,4-dimethyl-1-phenylpentan-3-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1,1-diphenylbutan-2-one;4-methyl-1,1-diphenylpentan-3-one;2-methyl-4-phenylhexan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one is sourced from PubChem (CID 158693254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).