4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol

C22H16N2O2 — CID 789621

IUPAC4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2O2/c25-18-10-6-15(7-11-18)20-14-21(16-8-12-19(26)13-9-16)24-22(23-20)17-4-2-1-3-5-17/h1-14,25-26H
InChIKeyVXJWCJHMLDRQIN-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.89
Rot. Bonds3

About 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol

4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol (PubChem CID 789621) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
PubChem CID789621
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2O2/c25-18-10-6-15(7-11-18)20-14-21(16-8-12-19(26)13-9-16)24-22(23-20)17-4-2-1-3-5-17/h1-14,25-26H
InChIKeyVXJWCJHMLDRQIN-UHFFFAOYSA-N
XLogP4.89
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol (CID 789621) is 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol is Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol?
The InChIKey is VXJWCJHMLDRQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-18-10-6-15(7-11-18)20-14-21(16-8-12-19(26)13-9-16)24-22(23-20)17-4-2-1-3-5-17/h1-14,25-26H.
What are the key properties of 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol?
4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol has a molecular weight of 340.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 789621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).