4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid

C11H8N2O4 — CID 115038673

IUPAC4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H8N2O4/c14-10(15)7-1-3-8(4-2-7)17-9-5-12-11(16)13-6-9/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyKFWWCIXFGTYOIC-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.26
Rot. Bonds3

About 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid

4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid (PubChem CID 115038673) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
PubChem CID115038673
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H8N2O4/c14-10(15)7-1-3-8(4-2-7)17-9-5-12-11(16)13-6-9/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyKFWWCIXFGTYOIC-UHFFFAOYSA-N
XLogP1.26
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxyphenoxy)-1H-pyrimidin-2-one
CID 59428055
5-(4-fluorophenoxy)-1H-pyrimidin-2-one
CID 12661833
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-(2-aminopyrimidin-5-yl)oxybenzoic acid
CID 115038087
2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
CID 142106869
4-pyridin-3-yloxybenzoic acid
CID 22261667
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-acetylphenoxy)benzoic acid
CID 60723234
5-(2-oxopropoxy)-1H-pyrimidin-2-one
CID 117230703
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanylphenoxy]benzoic acid
CID 14177975
4-(4-fluorophenoxy)benzoic acid;pyridine
CID 139933963

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid?
The IUPAC name of 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid (CID 115038673) is 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid.
What is the SMILES notation for 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid?
The canonical SMILES for 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid is O=C(O)c1ccc(Oc2cnc(=O)[nH]c2)cc1.
What is the InChIKey of 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid?
The InChIKey is KFWWCIXFGTYOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10(15)7-1-3-8(4-2-7)17-9-5-12-11(16)13-6-9/h1-6H,(H,14,15)(H,12,13,16).
What are the key properties of 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid?
4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid has a molecular weight of 232.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid is sourced from PubChem (CID 115038673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).