2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid

C18H12Cl2N2O4 — CID 23644731

IUPAC2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cncnc3)c2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N2O4/c19-14-3-10(5-17(24)25)4-15(20)18(14)26-12-1-2-16(23)13(6-12)11-7-21-9-22-8-11/h1-4,6-9,23H,5H2,(H,24,25)
InChIKeyCMUXOLOARGWVNN-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.58
Rot. Bonds5

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

2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid (PubChem CID 23644731) has the molecular formula C18H12Cl2N2O4 and a molecular weight of 391.21 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid
PubChem CID23644731
Molecular FormulaC18H12Cl2N2O4
Molecular Weight391.21 g/mol
Exact Mass390.02
IUPAC Name2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cncnc3)c2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N2O4/c19-14-3-10(5-17(24)25)4-15(20)18(14)26-12-1-2-16(23)13(6-12)11-7-21-9-22-8-11/h1-4,6-9,23H,5H2,(H,24,25)
InChIKeyCMUXOLOARGWVNN-UHFFFAOYSA-N
XLogP4.58
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid (CID 23644731) is 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cncnc3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid?
The InChIKey is CMUXOLOARGWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O4/c19-14-3-10(5-17(24)25)4-15(20)18(14)26-12-1-2-16(23)13(6-12)11-7-21-9-22-8-11/h1-4,6-9,23H,5H2,(H,24,25).
What are the key properties of 2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid?
2-[3,5-dichloro-4-(4-hydroxy-3-pyrimidin-5-ylphenoxy)phenyl]acetic acid has a molecular weight of 391.21 g/mol, XLogP of 4.58, 5 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-pyrimidin-5-ylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 23644731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).