propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate

C26H24F4O3 — CID 147670995

About propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate

propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate (PubChem CID 147670995) has the molecular formula C26H24F4O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate
• PubChem CID: 147670995
• Molecular Formula: C26H24F4O3
• Molecular Weight: 460.47 g/mol
• Exact Mass: 460.17
• IUPAC Name: propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate
• SMILES: Cc1cc(OCC(=O)OC(C)C)c(F)c(CCc2cc(-c3cccc(F)c3)ccc2F)c1F
• InChI: InChI=1S/C26H24F4O3/c1-15(2)33-24(31)14-32-23-11-16(3)25(29)21(26(23)30)9-7-19-12-18(8-10-22(19)28)17-5-4-6-20(27)13-17/h4-6,8,10-13,15H,7,9,14H2,1-3H3
• InChIKey: GNFOAIXPSULTIW-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.47
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate?

The IUPAC name of propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate (CID 147670995) is propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate.

What is the SMILES notation for propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate?

The canonical SMILES for propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate is Cc1cc(OCC(=O)OC(C)C)c(F)c(CCc2cc(-c3cccc(F)c3)ccc2F)c1F.

What is the InChIKey of propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate?

The InChIKey is GNFOAIXPSULTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4O3/c1-15(2)33-24(31)14-32-23-11-16(3)25(29)21(26(23)30)9-7-19-12-18(8-10-22(19)28)17-5-4-6-20(27)13-17/h4-6,8,10-13,15H,7,9,14H2,1-3H3.

What are the key properties of propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate?

propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate has a molecular weight of 460.47 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate is sourced from PubChem (CID 147670995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).