4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol

C17H14N2O — CID 1479917

IUPAC4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol
SMILESCc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-12-2-4-13(5-3-12)16-10-11-18-17(19-16)14-6-8-15(20)9-7-14/h2-11,20H,1H3
InChIKeyVDFQHZOBBWXIHT-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.82
Rot. Bonds2

About 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol

4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol (PubChem CID 1479917) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol
PubChem CID1479917
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol
SMILESCc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-12-2-4-13(5-3-12)16-10-11-18-17(19-16)14-6-8-15(20)9-7-14/h2-11,20H,1H3
InChIKeyVDFQHZOBBWXIHT-UHFFFAOYSA-N
XLogP3.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol (CID 1479917) is 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol is Cc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol?
The InChIKey is VDFQHZOBBWXIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-2-4-13(5-3-12)16-10-11-18-17(19-16)14-6-8-15(20)9-7-14/h2-11,20H,1H3.
What are the key properties of 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol?
4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol has a molecular weight of 262.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 1479917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).