2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one

C127H98ClF15O10 — CID 158151315

About 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one

2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one (PubChem CID 158151315) has the molecular formula C127H98ClF15O10 and a molecular weight of 2104.59 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
• PubChem CID: 158151315
• Molecular Formula: C127H98ClF15O10
• Molecular Weight: 2104.59 g/mol
• Exact Mass: 2102.66
• IUPAC Name: 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
• SMILES: CC(=O)c1ccc(CC2Cc3c(cccc3-c3cc(C)cc(C(F)(F)F)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3cc(C)cc(C(F)(F)F)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccc(C(F)(F)F)cc3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccccc3C(F)(F)F)C2=O)cc1
• InChI: InChI=1S/2C26H21F3O2.C25H18ClF3O2.2C25H19F3O2/c2*1-15-10-19(13-21(11-15)26(27,28)29)22-4-3-5-23-24(22)14-20(25(23)31)12-17-6-8-18(9-7-17)16(2)30;1-14(30)16-7-5-15(6-8-16)11-18-12-21-19(3-2-4-20(21)24(18)31)17-9-10-23(26)22(13-17)25(27,28)29;1-15(29)17-11-9-16(10-12-17)13-18-14-22-19(6-4-7-21(22)24(18)30)20-5-2-3-8-23(20)25(26,27)28;1-15(29)17-7-5-16(6-8-17)13-19-14-23-21(3-2-4-22(23)24(19)30)18-9-11-20(12-10-18)25(26,27)28/h2*3-11,13,20H,12,14H2,1-2H3;2-10,13,18H,11-12H2,1H3;2-12,18H,13-14H2,1H3;2-12,19H,13-14H2,1H3
• InChIKey: FVDJSDFMMKPSDW-UHFFFAOYSA-N
• XLogP: 32.13
• TPSA: 170.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2104.59
LogP ≤ 5	32.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

The IUPAC name of 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one (CID 158151315) is 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one.

What is the SMILES notation for 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

The canonical SMILES for 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one is CC(=O)c1ccc(CC2Cc3c(cccc3-c3cc(C)cc(C(F)(F)F)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3cc(C)cc(C(F)(F)F)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccc(C(F)(F)F)cc3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccccc3C(F)(F)F)C2=O)cc1.

What is the InChIKey of 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

The InChIKey is FVDJSDFMMKPSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21F3O2.C25H18ClF3O2.2C25H19F3O2/c2*1-15-10-19(13-21(11-15)26(27,28)29)22-4-3-5-23-24(22)14-20(25(23)31)12-17-6-8-18(9-7-17)16(2)30;1-14(30)16-7-5-15(6-8-16)11-18-12-21-19(3-2-4-20(21)24(18)31)17-9-10-23(26)22(13-17)25(27,28)29;1-15(29)17-11-9-16(10-12-17)13-18-14-22-19(6-4-7-21(22)24(18)30)20-5-2-3-8-23(20)25(26,27)28;1-15(29)17-7-5-16(6-8-17)13-19-14-23-21(3-2-4-22(23)24(19)30)18-9-11-20(12-10-18)25(26,27)28/h2*3-11,13,20H,12,14H2,1-2H3;2-10,13,18H,11-12H2,1H3;2-12,18H,13-14H2,1H3;2-12,19H,13-14H2,1H3.

What are the key properties of 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one has a molecular weight of 2104.59 g/mol, XLogP of 32.13, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-acetylphenyl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;bis(2-[(4-acetylphenyl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one);2-[(4-acetylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 158151315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).