4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine

C17H13ClN2O2 — CID 1487611

IUPAC4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-21-14-6-8-15(9-7-14)22-17-19-11-10-16(20-17)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKeyIKOBBLSTWMAKMH-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.60
Rot. Bonds4

About 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine

4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine (PubChem CID 1487611) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine
PubChem CID1487611
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-21-14-6-8-15(9-7-14)22-17-19-11-10-16(20-17)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKeyIKOBBLSTWMAKMH-UHFFFAOYSA-N
XLogP4.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine (CID 1487611) is 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine is COc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine?
The InChIKey is IKOBBLSTWMAKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-21-14-6-8-15(9-7-14)22-17-19-11-10-16(20-17)12-2-4-13(18)5-3-12/h2-11H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine?
4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine has a molecular weight of 312.76 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 1487611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).