2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid

C18H14Cl2N2O4 — CID 169189169

IUPAC2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(Cl)c(Cc2ccc(O)c(-n3ccnc3)c2)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O4/c19-14-7-12(26-9-18(24)25)8-15(20)13(14)5-11-1-2-17(23)16(6-11)22-4-3-21-10-22/h1-4,6-8,10,23H,5,9H2,(H,24,25)
InChIKeyACYSEMKCXAITPX-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.94
Rot. Bonds6

About 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid

2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid (PubChem CID 169189169) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid
PubChem CID169189169
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(Cl)c(Cc2ccc(O)c(-n3ccnc3)c2)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O4/c19-14-7-12(26-9-18(24)25)8-15(20)13(14)5-11-1-2-17(23)16(6-11)22-4-3-21-10-22/h1-4,6-8,10,23H,5,9H2,(H,24,25)
InChIKeyACYSEMKCXAITPX-UHFFFAOYSA-N
XLogP3.94
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid (CID 169189169) is 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid is O=C(O)COc1cc(Cl)c(Cc2ccc(O)c(-n3ccnc3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid?
The InChIKey is ACYSEMKCXAITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c19-14-7-12(26-9-18(24)25)8-15(20)13(14)5-11-1-2-17(23)16(6-11)22-4-3-21-10-22/h1-4,6-8,10,23H,5,9H2,(H,24,25).
What are the key properties of 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid?
2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid has a molecular weight of 393.23 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[(4-hydroxy-3-imidazol-1-ylphenyl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 169189169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).