4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol

C16H12N2O2 — CID 621973

IUPAC4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol
SMILESOc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1
InChIInChI=1S/C16H12N2O2/c19-14-5-1-11(2-6-14)13-9-17-16(18-10-13)12-3-7-15(20)8-4-12/h1-10,19-20H
InChIKeyITUZOIZYIXRGNT-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.22
Rot. Bonds2

About 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol

4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol (PubChem CID 621973) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol
PubChem CID621973
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol
SMILESOc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1
InChIInChI=1S/C16H12N2O2/c19-14-5-1-11(2-6-14)13-9-17-16(18-10-13)12-3-7-15(20)8-4-12/h1-10,19-20H
InChIKeyITUZOIZYIXRGNT-UHFFFAOYSA-N
XLogP3.22
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol (CID 621973) is 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol is Oc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol?
The InChIKey is ITUZOIZYIXRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-14-5-1-11(2-6-14)13-9-17-16(18-10-13)12-3-7-15(20)8-4-12/h1-10,19-20H.
What are the key properties of 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol?
4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol has a molecular weight of 264.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)pyrimidin-5-yl]phenol is sourced from PubChem (CID 621973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).