2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one

C121H100F6O11S2 — CID 159624268

About 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one

2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one (PubChem CID 159624268) has the molecular formula C121H100F6O11S2 and a molecular weight of 1908.24 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
• PubChem CID: 159624268
• Molecular Formula: C121H100F6O11S2
• Molecular Weight: 1908.24 g/mol
• Exact Mass: 1906.66
• IUPAC Name: 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
• SMILES: C=C(O)c1ccc(CC2Cc3c(cccc3-c3cccc(C(F)(F)F)c3)C2=O)s1.CC(=O)c1ccc(CC2CCc3c(cccc3-c3cccc(C(F)(F)F)c3)C2=O)s1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3cccc(C)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccccc3)C2=O)cc1.COc1cccc(-c2cccc3c2CC(Cc2ccc(C(C)=O)cc2)C3=O)c1
• InChI: InChI=1S/C25H22O3.C25H22O2.C24H19F3O2S.C24H20O2.C23H17F3O2S/c1-16(26)18-11-9-17(10-12-18)13-20-15-24-22(7-4-8-23(24)25(20)27)19-5-3-6-21(14-19)28-2;1-16-5-3-6-20(13-16)22-7-4-8-23-24(22)15-21(25(23)27)14-18-9-11-19(12-10-18)17(2)26;1-14(28)22-11-9-18(30-22)13-16-8-10-20-19(6-3-7-21(20)23(16)29)15-4-2-5-17(12-15)24(25,26)27;1-16(25)18-12-10-17(11-13-18)14-20-15-23-21(19-6-3-2-4-7-19)8-5-9-22(23)24(20)26;1-13(27)21-9-8-17(29-21)11-15-12-20-18(6-3-7-19(20)22(15)28)14-4-2-5-16(10-14)23(24,25)26/h3-12,14,20H,13,15H2,1-2H3;3-13,21H,14-15H2,1-2H3;2-7,9,11-12,16H,8,10,13H2,1H3;2-13,20H,14-15H2,1H3;2-10,15,27H,1,11-12H2
• InChIKey: MOHBSFLFEHUHSW-UHFFFAOYSA-N
• XLogP: 28.96
• TPSA: 183.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.24
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

The IUPAC name of 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one (CID 159624268) is 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one.

What is the SMILES notation for 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

The canonical SMILES for 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one is C=C(O)c1ccc(CC2Cc3c(cccc3-c3cccc(C(F)(F)F)c3)C2=O)s1.CC(=O)c1ccc(CC2CCc3c(cccc3-c3cccc(C(F)(F)F)c3)C2=O)s1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3cccc(C)c3)C2=O)cc1.CC(=O)c1ccc(CC2Cc3c(cccc3-c3ccccc3)C2=O)cc1.COc1cccc(-c2cccc3c2CC(Cc2ccc(C(C)=O)cc2)C3=O)c1.

What is the InChIKey of 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

The InChIKey is MOHBSFLFEHUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3.C25H22O2.C24H19F3O2S.C24H20O2.C23H17F3O2S/c1-16(26)18-11-9-17(10-12-18)13-20-15-24-22(7-4-8-23(24)25(20)27)19-5-3-6-21(14-19)28-2;1-16-5-3-6-20(13-16)22-7-4-8-23-24(22)15-21(25(23)27)14-18-9-11-19(12-10-18)17(2)26;1-14(28)22-11-9-18(30-22)13-16-8-10-20-19(6-3-7-21(20)23(16)29)15-4-2-5-17(12-15)24(25,26)27;1-16(25)18-12-10-17(11-13-18)14-20-15-23-21(19-6-3-2-4-7-19)8-5-9-22(23)24(20)26;1-13(27)21-9-8-17(29-21)11-15-12-20-18(6-3-7-19(20)22(15)28)14-4-2-5-16(10-14)23(24,25)26/h3-12,14,20H,13,15H2,1-2H3;3-13,21H,14-15H2,1-2H3;2-7,9,11-12,16H,8,10,13H2,1H3;2-13,20H,14-15H2,1H3;2-10,15,27H,1,11-12H2.

What are the key properties of 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one?

2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one has a molecular weight of 1908.24 g/mol, XLogP of 28.96, 21 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-acetylphenyl)methyl]-4-(3-methoxyphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-(3-methylphenyl)-2,3-dihydroinden-1-one;2-[(4-acetylphenyl)methyl]-4-phenyl-2,3-dihydroinden-1-one;2-[(5-acetylthiophen-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one;2-[[5-(1-hydroxyethenyl)thiophen-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 159624268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).