2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid

CAS Registry Number®

161172-51-6

CAS Name

2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid

Molecular Formula

C33H33FO6

Molecular Mass

544.61

Cite this Page

2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=161172-51-6 (retrieved 2024-11-23) (CAS RN: 161172-51-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    68-70 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)

InChIKey

InChIKey=YFIZRWPXUYFCSN-UHFFFAOYSA-N

SMILES

O(C1=C(CCC)C(OCCCOC2=C(CC)C=C(C(O)=C2)C3=CC=C(F)C=C3)=CC=C1)C4=C(C(O)=O)C=CC=C4

Canonical SMILES

O=C(O)C=1C=CC=CC1OC2=CC=CC(OCCCOC=3C=C(O)C(=CC3CC)C=4C=CC(F)=CC4)=C2CCC

Other Names for this Substance

  • Benzoic acid, 2-[3-[3-[(5-ethyl-4′-fluoro-2-hydroxy[1,1′-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]-
  • 2-[3-[3-[(5-Ethyl-4′-fluoro-2-hydroxy[1,1′-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]benzoic acid
  • LY 293111
  • VML 295
  • 2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid

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