3-(6-methoxypyrimidin-4-yl)phenol

C11H10N2O2 — CID 56709566

IUPAC3-(6-methoxypyrimidin-4-yl)phenol
SMILESCOc1cc(-c2cccc(O)c2)ncn1
InChIInChI=1S/C11H10N2O2/c1-15-11-6-10(12-7-13-11)8-3-2-4-9(14)5-8/h2-7,14H,1H3
InChIKeyCHHXERNHSQRQCE-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.86
Rot. Bonds2

About 3-(6-methoxypyrimidin-4-yl)phenol

3-(6-methoxypyrimidin-4-yl)phenol (PubChem CID 56709566) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(6-methoxypyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(6-methoxypyrimidin-4-yl)phenol
PubChem CID56709566
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-(6-methoxypyrimidin-4-yl)phenol
SMILESCOc1cc(-c2cccc(O)c2)ncn1
InChIInChI=1S/C11H10N2O2/c1-15-11-6-10(12-7-13-11)8-3-2-4-9(14)5-8/h2-7,14H,1H3
InChIKeyCHHXERNHSQRQCE-UHFFFAOYSA-N
XLogP1.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyrimidin-4-yl)phenol?
The IUPAC name of 3-(6-methoxypyrimidin-4-yl)phenol (CID 56709566) is 3-(6-methoxypyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(6-methoxypyrimidin-4-yl)phenol?
The canonical SMILES for 3-(6-methoxypyrimidin-4-yl)phenol is COc1cc(-c2cccc(O)c2)ncn1.
What is the InChIKey of 3-(6-methoxypyrimidin-4-yl)phenol?
The InChIKey is CHHXERNHSQRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11-6-10(12-7-13-11)8-3-2-4-9(14)5-8/h2-7,14H,1H3.
What are the key properties of 3-(6-methoxypyrimidin-4-yl)phenol?
3-(6-methoxypyrimidin-4-yl)phenol has a molecular weight of 202.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyrimidin-4-yl)phenol is sourced from PubChem (CID 56709566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).