4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine

C20H13ClN2O — CID 1487613

IUPAC4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine
SMILESClc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H13ClN2O/c21-17-8-5-15(6-9-17)19-11-12-22-20(23-19)24-18-10-7-14-3-1-2-4-16(14)13-18/h1-13H
InChIKeySHPQOBMEMXWENS-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.74
Rot. Bonds3

About 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine

4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine (PubChem CID 1487613) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine
PubChem CID1487613
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine
SMILESClc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H13ClN2O/c21-17-8-5-15(6-9-17)19-11-12-22-20(23-19)24-18-10-7-14-3-1-2-4-16(14)13-18/h1-13H
InChIKeySHPQOBMEMXWENS-UHFFFAOYSA-N
XLogP5.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine (CID 1487613) is 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine is Clc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine?
The InChIKey is SHPQOBMEMXWENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-17-8-5-15(6-9-17)19-11-12-22-20(23-19)24-18-10-7-14-3-1-2-4-16(14)13-18/h1-13H.
What are the key properties of 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine?
4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine has a molecular weight of 332.79 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-naphthalen-2-yloxypyrimidine is sourced from PubChem (CID 1487613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).