7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one

C66H51Cl3F6O4 — CID 158263726

IUPAC7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
SMILESCC1Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2C1=O.CC1Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2C1=O.CC1Cc2cccc(-c3ccc(Cl)cc3)c2C1=O.CC1Cc2cccc(-c3cccc(C(F)(F)F)c3)c2C1=O
InChIInChI=1S/2C17H13F3O.C16H12Cl2O.C16H13ClO/c1-10-8-12-5-3-7-14(15(12)16(10)21)11-4-2-6-13(9-11)17(18,19)20;1-10-9-12-3-2-4-14(15(12)16(10)21)11-5-7-13(8-6-11)17(18,19)20;1-9-5-10-3-2-4-14(15(10)16(9)19)11-6-12(17)8-13(18)7-11;1-10-9-12-3-2-4-14(15(12)16(10)18)11-5-7-13(17)8-6-11/h2-7,9-10H,8H2,1H3;2-8,10H,9H2,1H3;2-4,6-9H,5H2,1H3;2-8,10H,9H2,1H3
InChIKeyGIELASFLBXCFLB-UHFFFAOYSA-N
MW1128.48 g/mol
LogP18.91
Rot. Bonds4

About 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one

7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one (PubChem CID 158263726) has the molecular formula C66H51Cl3F6O4 and a molecular weight of 1128.48 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
PubChem CID158263726
Molecular FormulaC66H51Cl3F6O4
Molecular Weight1128.48 g/mol
Exact Mass1126.28
IUPAC Name7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
SMILESCC1Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2C1=O.CC1Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2C1=O.CC1Cc2cccc(-c3ccc(Cl)cc3)c2C1=O.CC1Cc2cccc(-c3cccc(C(F)(F)F)c3)c2C1=O
InChIInChI=1S/2C17H13F3O.C16H12Cl2O.C16H13ClO/c1-10-8-12-5-3-7-14(15(12)16(10)21)11-4-2-6-13(9-11)17(18,19)20;1-10-9-12-3-2-4-14(15(12)16(10)21)11-5-7-13(8-6-11)17(18,19)20;1-9-5-10-3-2-4-14(15(10)16(9)19)11-6-12(17)8-13(18)7-11;1-10-9-12-3-2-4-14(15(12)16(10)18)11-5-7-13(17)8-6-11/h2-7,9-10H,8H2,1H3;2-8,10H,9H2,1H3;2-4,6-9H,5H2,1H3;2-8,10H,9H2,1H3
InChIKeyGIELASFLBXCFLB-UHFFFAOYSA-N
XLogP18.91
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001128.48
LogP ≤ 518.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one with MolForge

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Related Compounds

2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one
CID 22173370
7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one
CID 15315314
2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 151016098
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one (CID 158263726) is 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one is CC1Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2C1=O.CC1Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2C1=O.CC1Cc2cccc(-c3ccc(Cl)cc3)c2C1=O.CC1Cc2cccc(-c3cccc(C(F)(F)F)c3)c2C1=O.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?
The InChIKey is GIELASFLBXCFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13F3O.C16H12Cl2O.C16H13ClO/c1-10-8-12-5-3-7-14(15(12)16(10)21)11-4-2-6-13(9-11)17(18,19)20;1-10-9-12-3-2-4-14(15(12)16(10)21)11-5-7-13(8-6-11)17(18,19)20;1-9-5-10-3-2-4-14(15(10)16(9)19)11-6-12(17)8-13(18)7-11;1-10-9-12-3-2-4-14(15(12)16(10)18)11-5-7-13(17)8-6-11/h2-7,9-10H,8H2,1H3;2-8,10H,9H2,1H3;2-4,6-9H,5H2,1H3;2-8,10H,9H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?
7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one has a molecular weight of 1128.48 g/mol, XLogP of 18.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 158263726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).