5-benzyl-2-pyrimidin-2-yloxyphenol

C17H14N2O2 — CID 91264472

IUPAC5-benzyl-2-pyrimidin-2-yloxyphenol
SMILESOc1cc(Cc2ccccc2)ccc1Oc1ncccn1
InChIInChI=1S/C17H14N2O2/c20-15-12-14(11-13-5-2-1-3-6-13)7-8-16(15)21-17-18-9-4-10-19-17/h1-10,12,20H,11H2
InChIKeyMIACSVGKZAUHFF-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.57
Rot. Bonds4

About 5-benzyl-2-pyrimidin-2-yloxyphenol

5-benzyl-2-pyrimidin-2-yloxyphenol (PubChem CID 91264472) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-benzyl-2-pyrimidin-2-yloxyphenol.

Molecular Properties

Compound Name5-benzyl-2-pyrimidin-2-yloxyphenol
PubChem CID91264472
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-benzyl-2-pyrimidin-2-yloxyphenol
SMILESOc1cc(Cc2ccccc2)ccc1Oc1ncccn1
InChIInChI=1S/C17H14N2O2/c20-15-12-14(11-13-5-2-1-3-6-13)7-8-16(15)21-17-18-9-4-10-19-17/h1-10,12,20H,11H2
InChIKeyMIACSVGKZAUHFF-UHFFFAOYSA-N
XLogP3.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-pyrimidin-2-yloxyphenol?
The IUPAC name of 5-benzyl-2-pyrimidin-2-yloxyphenol (CID 91264472) is 5-benzyl-2-pyrimidin-2-yloxyphenol.
What is the SMILES notation for 5-benzyl-2-pyrimidin-2-yloxyphenol?
The canonical SMILES for 5-benzyl-2-pyrimidin-2-yloxyphenol is Oc1cc(Cc2ccccc2)ccc1Oc1ncccn1.
What is the InChIKey of 5-benzyl-2-pyrimidin-2-yloxyphenol?
The InChIKey is MIACSVGKZAUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-15-12-14(11-13-5-2-1-3-6-13)7-8-16(15)21-17-18-9-4-10-19-17/h1-10,12,20H,11H2.
What are the key properties of 5-benzyl-2-pyrimidin-2-yloxyphenol?
5-benzyl-2-pyrimidin-2-yloxyphenol has a molecular weight of 278.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-pyrimidin-2-yloxyphenol is sourced from PubChem (CID 91264472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).