4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid

C18H14N2O4 — CID 5061384

IUPAC4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid
SMILESCc1cc(Oc2ccc(C(=O)O)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H14N2O4/c1-11-10-16(24-13-8-6-12(7-9-13)18(22)23)20-17(19-11)14-4-2-3-5-15(14)21/h2-10,21H,1H3,(H,22,23)
InChIKeyHWJJBGPUJFCJOS-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.65
Rot. Bonds4

About 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid

4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid (PubChem CID 5061384) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid
PubChem CID5061384
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid
SMILESCc1cc(Oc2ccc(C(=O)O)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H14N2O4/c1-11-10-16(24-13-8-6-12(7-9-13)18(22)23)20-17(19-11)14-4-2-3-5-15(14)21/h2-10,21H,1H3,(H,22,23)
InChIKeyHWJJBGPUJFCJOS-UHFFFAOYSA-N
XLogP3.65
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxybenzoic acid
CID 71563644
4-[6-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-4-yl]oxybenzoic acid
CID 71563642
2-(4-ethoxy-6-methylpyrimidin-2-yl)phenol;2-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)phenol
CID 136984217
1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
CID 721063
2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol
CID 781265
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol
CID 1394579
4-methyl-6-phenoxy-2-(trichloromethyl)pyrimidine
CID 57066662
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
CID 80882151
4-(2,6-diphenylphenoxy)benzoic acid
CID 139330345

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid?
The IUPAC name of 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid (CID 5061384) is 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid is Cc1cc(Oc2ccc(C(=O)O)cc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid?
The InChIKey is HWJJBGPUJFCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-11-10-16(24-13-8-6-12(7-9-13)18(22)23)20-17(19-11)14-4-2-3-5-15(14)21/h2-10,21H,1H3,(H,22,23).
What are the key properties of 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid?
4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid has a molecular weight of 322.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxybenzoic acid is sourced from PubChem (CID 5061384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).