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

C16H11ClN2O — CID 1475109

IUPAC4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H11ClN2O/c17-13-5-1-11(2-6-13)15-9-10-18-16(19-15)12-3-7-14(20)8-4-12/h1-10,20H
InChIKeyFQJKXKJBTDZVAO-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.17
Rot. Bonds2

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

4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol (PubChem CID 1475109) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol
PubChem CID1475109
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H11ClN2O/c17-13-5-1-11(2-6-13)15-9-10-18-16(19-15)12-3-7-14(20)8-4-12/h1-10,20H
InChIKeyFQJKXKJBTDZVAO-UHFFFAOYSA-N
XLogP4.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol (CID 1475109) is 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol is Oc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol?
The InChIKey is FQJKXKJBTDZVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-5-1-11(2-6-13)15-9-10-18-16(19-15)12-3-7-14(20)8-4-12/h1-10,20H.
What are the key properties of 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol?
4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol has a molecular weight of 282.73 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 1475109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).