3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol

C15H16N2O2 — CID 155526193

IUPAC3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nccc(C3CCOCC3)n2)c1
InChIInChI=1S/C15H16N2O2/c18-13-3-1-2-12(10-13)15-16-7-4-14(17-15)11-5-8-19-9-6-11/h1-4,7,10-11,18H,5-6,8-9H2
InChIKeyUNJIWAZBQAYJQA-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.74
Rot. Bonds2

About 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol

3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol (PubChem CID 155526193) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol
PubChem CID155526193
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nccc(C3CCOCC3)n2)c1
InChIInChI=1S/C15H16N2O2/c18-13-3-1-2-12(10-13)15-16-7-4-14(17-15)11-5-8-19-9-6-11/h1-4,7,10-11,18H,5-6,8-9H2
InChIKeyUNJIWAZBQAYJQA-UHFFFAOYSA-N
XLogP2.74
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol (CID 155526193) is 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol is Oc1cccc(-c2nccc(C3CCOCC3)n2)c1.
What is the InChIKey of 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol?
The InChIKey is UNJIWAZBQAYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-13-3-1-2-12(10-13)15-16-7-4-14(17-15)11-5-8-19-9-6-11/h1-4,7,10-11,18H,5-6,8-9H2.
What are the key properties of 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol?
3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol has a molecular weight of 256.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-4-yl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 155526193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).