2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid

C62H51F3O9 — CID 90915629

About 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid

2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid (PubChem CID 90915629) has the molecular formula C62H51F3O9 and a molecular weight of 997.07 g/mol. Its IUPAC name is 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid
• PubChem CID: 90915629
• Molecular Formula: C62H51F3O9
• Molecular Weight: 997.07 g/mol
• Exact Mass: 996.35
• IUPAC Name: 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid
• SMILES: COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccccc3)c2)cc1.Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc4ccccc4c3)c2)ccc1OCC(=O)O
• InChI: InChI=1S/C33H25F3O4.C29H26O5/c1-21-14-30(12-13-31(21)40-20-32(37)38)39-19-22-15-27(24-8-10-29(11-9-24)33(34,35)36)18-28(16-22)26-7-6-23-4-2-3-5-25(23)17-26;1-20-14-27(12-13-28(20)34-19-29(30)31)33-18-21-15-24(22-6-4-3-5-7-22)17-25(16-21)23-8-10-26(32-2)11-9-23/h2-18H,19-20H2,1H3,(H,37,38);3-17H,18-19H2,1-2H3,(H,30,31)
• InChIKey: SKAUOHSOGDHZGR-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 120.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.07
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid?

The IUPAC name of 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid (CID 90915629) is 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid.

What is the SMILES notation for 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid?

The canonical SMILES for 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid is COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccccc3)c2)cc1.Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc4ccccc4c3)c2)ccc1OCC(=O)O.

What is the InChIKey of 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid?

The InChIKey is SKAUOHSOGDHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3O4.C29H26O5/c1-21-14-30(12-13-31(21)40-20-32(37)38)39-19-22-15-27(24-8-10-29(11-9-24)33(34,35)36)18-28(16-22)26-7-6-23-4-2-3-5-25(23)17-26;1-20-14-27(12-13-28(20)34-19-29(30)31)33-18-21-15-24(22-6-4-3-5-7-22)17-25(16-21)23-8-10-26(32-2)11-9-23/h2-18H,19-20H2,1H3,(H,37,38);3-17H,18-19H2,1-2H3,(H,30,31).

What are the key properties of 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid?

2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid has a molecular weight of 997.07 g/mol, XLogP of 14.92, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 90915629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).