3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol

C17H14N2O2 — CID 42582436

IUPAC3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol
SMILESCc1cc(Oc2cccc(O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O2/c1-12-10-16(21-15-9-5-8-14(20)11-15)19-17(18-12)13-6-3-2-4-7-13/h2-11,20H,1H3
InChIKeyKFAWUDYRDFGOGJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.95
Rot. Bonds3

About 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol

3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol (PubChem CID 42582436) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol.

Molecular Properties

Compound Name3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol
PubChem CID42582436
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol
SMILESCc1cc(Oc2cccc(O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O2/c1-12-10-16(21-15-9-5-8-14(20)11-15)19-17(18-12)13-6-3-2-4-7-13/h2-11,20H,1H3
InChIKeyKFAWUDYRDFGOGJ-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

Analyze 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol?
The IUPAC name of 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol (CID 42582436) is 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol.
What is the SMILES notation for 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol?
The canonical SMILES for 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol is Cc1cc(Oc2cccc(O)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol?
The InChIKey is KFAWUDYRDFGOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-10-16(21-15-9-5-8-14(20)11-15)19-17(18-12)13-6-3-2-4-7-13/h2-11,20H,1H3.
What are the key properties of 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol?
3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol 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 3-(6-methyl-2-phenylpyrimidin-4-yl)oxyphenol is sourced from PubChem (CID 42582436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).