2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid

C26H18Cl2O4 — CID 23648110

IUPAC2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(-c4ccccc4)c3)c2)c(Cl)c1
InChIInChI=1S/C26H18Cl2O4/c27-22-11-16(13-25(30)31)12-23(28)26(22)32-20-9-10-24(29)21(15-20)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15,29H,13H2,(H,30,31)
InChIKeyAQOFZDMQOFEIFY-UHFFFAOYSA-N
MW465.33 g/mol
LogP7.45
Rot. Bonds6

About 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid

2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid (PubChem CID 23648110) has the molecular formula C26H18Cl2O4 and a molecular weight of 465.33 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid
PubChem CID23648110
Molecular FormulaC26H18Cl2O4
Molecular Weight465.33 g/mol
Exact Mass464.06
IUPAC Name2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(-c4ccccc4)c3)c2)c(Cl)c1
InChIInChI=1S/C26H18Cl2O4/c27-22-11-16(13-25(30)31)12-23(28)26(22)32-20-9-10-24(29)21(15-20)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15,29H,13H2,(H,30,31)
InChIKeyAQOFZDMQOFEIFY-UHFFFAOYSA-N
XLogP7.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.33
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid (CID 23648110) is 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(-c4ccccc4)c3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid?
The InChIKey is AQOFZDMQOFEIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2O4/c27-22-11-16(13-25(30)31)12-23(28)26(22)32-20-9-10-24(29)21(15-20)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15,29H,13H2,(H,30,31).
What are the key properties of 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid?
2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid has a molecular weight of 465.33 g/mol, XLogP of 7.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 23648110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).