2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid

C18H14N2O3 — CID 16643374

IUPAC2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1nc(Oc2ccccc2C(=O)O)cc(-c2ccccc2)n1
InChIInChI=1S/C18H14N2O3/c1-12-19-15(13-7-3-2-4-8-13)11-17(20-12)23-16-10-6-5-9-14(16)18(21)22/h2-11H,1H3,(H,21,22)
InChIKeyXWYQVKDGPFVGED-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.94
Rot. Bonds4

About 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid

2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid (PubChem CID 16643374) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid
PubChem CID16643374
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1nc(Oc2ccccc2C(=O)O)cc(-c2ccccc2)n1
InChIInChI=1S/C18H14N2O3/c1-12-19-15(13-7-3-2-4-8-13)11-17(20-12)23-16-10-6-5-9-14(16)18(21)22/h2-11H,1H3,(H,21,22)
InChIKeyXWYQVKDGPFVGED-UHFFFAOYSA-N
XLogP3.94
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid (CID 16643374) is 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid is Cc1nc(Oc2ccccc2C(=O)O)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid?
The InChIKey is XWYQVKDGPFVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-12-19-15(13-7-3-2-4-8-13)11-17(20-12)23-16-10-6-5-9-14(16)18(21)22/h2-11H,1H3,(H,21,22).
What are the key properties of 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid?
2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid has a molecular weight of 306.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 16643374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).