2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol

C17H14N2O2 — CID 659561

IUPAC2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol
SMILESCc1cc(Oc2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H14N2O2/c1-12-11-16(21-13-7-3-2-4-8-13)19-17(18-12)14-9-5-6-10-15(14)20/h2-11,20H,1H3
InChIKeySPUHWLNYCWEBKZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol

2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol (PubChem CID 659561) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol
PubChem CID659561
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol
SMILESCc1cc(Oc2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H14N2O2/c1-12-11-16(21-13-7-3-2-4-8-13)19-17(18-12)14-9-5-6-10-15(14)20/h2-11,20H,1H3
InChIKeySPUHWLNYCWEBKZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol (CID 659561) is 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol is Cc1cc(Oc2ccccc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol?
The InChIKey is SPUHWLNYCWEBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-11-16(21-13-7-3-2-4-8-13)19-17(18-12)14-9-5-6-10-15(14)20/h2-11,20H,1H3.
What are the key properties of 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol?
2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol has a molecular weight of 278.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenoxypyrimidin-2-yl)phenol is sourced from PubChem (CID 659561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).