5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione

C96H84Cl2F6O10 — CID 159300353

IUPAC5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2C(F)(F)F)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2Cl)cc(C2CC(=O)CC(=O)C2)c1.O=C1CC(=O)CC(c2cccc(-c3ccccc3Cl)c2)C1
InChIInChI=1S/2C20H17F3O2.C19H17ClO2.C19H18O2.C18H15ClO2/c1-12-5-14(13-3-2-4-17(8-13)20(21,22)23)7-15(6-12)16-9-18(24)11-19(25)10-16;1-12-6-13(14-9-16(24)11-17(25)10-14)8-15(7-12)18-4-2-3-5-19(18)20(21,22)23;1-12-6-13(14-9-16(21)11-17(22)10-14)8-15(7-12)18-4-2-3-5-19(18)20;1-13-7-15(14-5-3-2-4-6-14)9-16(8-13)17-10-18(20)12-19(21)11-17;19-18-7-2-1-6-17(18)13-5-3-4-12(8-13)14-9-15(20)11-16(21)10-14/h2-8,16H,9-11H2,1H3;2-8,14H,9-11H2,1H3;2-8,14H,9-11H2,1H3;2-9,17H,10-12H2,1H3;1-8,14H,9-11H2
InChIKeyLBGFHDBEUQVBNY-UHFFFAOYSA-N
MW1582.61 g/mol
LogP23.37
Rot. Bonds10

About 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione

5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione (PubChem CID 159300353) has the molecular formula C96H84Cl2F6O10 and a molecular weight of 1582.61 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione
PubChem CID159300353
Molecular FormulaC96H84Cl2F6O10
Molecular Weight1582.61 g/mol
Exact Mass1580.53
IUPAC Name5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2C(F)(F)F)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2Cl)cc(C2CC(=O)CC(=O)C2)c1.O=C1CC(=O)CC(c2cccc(-c3ccccc3Cl)c2)C1
InChIInChI=1S/2C20H17F3O2.C19H17ClO2.C19H18O2.C18H15ClO2/c1-12-5-14(13-3-2-4-17(8-13)20(21,22)23)7-15(6-12)16-9-18(24)11-19(25)10-16;1-12-6-13(14-9-16(24)11-17(25)10-14)8-15(7-12)18-4-2-3-5-19(18)20(21,22)23;1-12-6-13(14-9-16(21)11-17(22)10-14)8-15(7-12)18-4-2-3-5-19(18)20;1-13-7-15(14-5-3-2-4-6-14)9-16(8-13)17-10-18(20)12-19(21)11-17;19-18-7-2-1-6-17(18)13-5-3-4-12(8-13)14-9-15(20)11-16(21)10-14/h2-8,16H,9-11H2,1H3;2-8,14H,9-11H2,1H3;2-8,14H,9-11H2,1H3;2-9,17H,10-12H2,1H3;1-8,14H,9-11H2
InChIKeyLBGFHDBEUQVBNY-UHFFFAOYSA-N
XLogP23.37
TPSA170.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.61
LogP ≤ 523.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione with MolForge

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Related Compounds

5-[3-(2-Chlorophenyl)-5-(trifluoromethyl)phenyl]cyclohexane-1,3-dione
CID 52939563
3-[3-[2-(4-Chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[2-(4-methylphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]hexan-2-one
CID 90719871
3-[3-[3,5-Bis(trifluoromethyl)phenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
CID 91213725
2-[5-[4-Chloro-3-(trifluoromethyl)phenyl]-2-ethylphenyl]cyclohexane-1,3-dione
CID 123590867
2-[5-[4-Chloro-2-fluoro-3-(trifluoromethyl)phenyl]-2-ethylphenyl]cyclohexane-1,3-dione
CID 123647366
1-[3-[3-[1-(2-Chlorophenyl)-3,3-dimethyl-2-oxobutyl]phenyl]-2-fluorophenyl]-3,3-dimethyl-1-phenylbutan-2-one
CID 156109454
CID 157291431
CID 157291431
1-(3-Chloro-5-methylphenyl)-4,4-dimethylpentan-2-one;1-(3-chlorophenyl)-4,4-dimethylpentan-2-one;bis(4,4-dimethyl-1-(3-methylphenyl)pentan-2-one);4,4-dimethyl-1-(4-methylphenyl)pentan-2-one;4,4-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pentan-2-one;4,4-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]pentan-2-one;4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one;1-(3-ethylphenyl)-4,4-dimethylpentan-2-one;1-(2-fluoro-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 157528192
3-[3-(4-Chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
CID 157707309
3-[3,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
CID 158058093
5-(4-Ethylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-(trifluoromethyl)phenyl]cyclohexane-1,3-dione;5-naphthalen-1-ylcyclohexane-1,3-dione;5-(2,3,4,5,6-pentamethylphenyl)cyclohexane-1,3-dione;5-(4-propylphenyl)cyclohexane-1,3-dione;5-[2-(trifluoromethyl)phenyl]cyclohexane-1,3-dione
CID 158795662
1-Tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene
CID 158941014

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione?
The IUPAC name of 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione (CID 159300353) is 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione.
What is the SMILES notation for 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione?
The canonical SMILES for 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione is Cc1cc(-c2cccc(C(F)(F)F)c2)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2C(F)(F)F)cc(C2CC(=O)CC(=O)C2)c1.Cc1cc(-c2ccccc2Cl)cc(C2CC(=O)CC(=O)C2)c1.O=C1CC(=O)CC(c2cccc(-c3ccccc3Cl)c2)C1.
What is the InChIKey of 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione?
The InChIKey is LBGFHDBEUQVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17F3O2.C19H17ClO2.C19H18O2.C18H15ClO2/c1-12-5-14(13-3-2-4-17(8-13)20(21,22)23)7-15(6-12)16-9-18(24)11-19(25)10-16;1-12-6-13(14-9-16(24)11-17(25)10-14)8-15(7-12)18-4-2-3-5-19(18)20(21,22)23;1-12-6-13(14-9-16(21)11-17(22)10-14)8-15(7-12)18-4-2-3-5-19(18)20;1-13-7-15(14-5-3-2-4-6-14)9-16(8-13)17-10-18(20)12-19(21)11-17;19-18-7-2-1-6-17(18)13-5-3-4-12(8-13)14-9-15(20)11-16(21)10-14/h2-8,16H,9-11H2,1H3;2-8,14H,9-11H2,1H3;2-8,14H,9-11H2,1H3;2-9,17H,10-12H2,1H3;1-8,14H,9-11H2.
What are the key properties of 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione?
5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione has a molecular weight of 1582.61 g/mol, XLogP of 23.37, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)-5-methylphenyl]cyclohexane-1,3-dione;5-[3-(2-chlorophenyl)phenyl]cyclohexane-1,3-dione;5-(3-methyl-5-phenylphenyl)cyclohexane-1,3-dione;5-[3-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione;5-[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]cyclohexane-1,3-dione is sourced from PubChem (CID 159300353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).