4-(1-phenylpyrazol-4-yl)oxyphenol

C15H12N2O2 — CID 117229486

IUPAC4-(1-phenylpyrazol-4-yl)oxyphenol
SMILESOc1ccc(Oc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C15H12N2O2/c18-13-6-8-14(9-7-13)19-15-10-16-17(11-15)12-4-2-1-3-5-12/h1-11,18H
InChIKeyWTEFWHSZNPEZFM-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.37
Rot. Bonds3

About 4-(1-phenylpyrazol-4-yl)oxyphenol

4-(1-phenylpyrazol-4-yl)oxyphenol (PubChem CID 117229486) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)oxyphenol.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)oxyphenol
PubChem CID117229486
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(1-phenylpyrazol-4-yl)oxyphenol
SMILESOc1ccc(Oc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C15H12N2O2/c18-13-6-8-14(9-7-13)19-15-10-16-17(11-15)12-4-2-1-3-5-12/h1-11,18H
InChIKeyWTEFWHSZNPEZFM-UHFFFAOYSA-N
XLogP3.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)oxyphenol?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)oxyphenol (CID 117229486) is 4-(1-phenylpyrazol-4-yl)oxyphenol.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)oxyphenol?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)oxyphenol is Oc1ccc(Oc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)oxyphenol?
The InChIKey is WTEFWHSZNPEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-13-6-8-14(9-7-13)19-15-10-16-17(11-15)12-4-2-1-3-5-12/h1-11,18H.
What are the key properties of 4-(1-phenylpyrazol-4-yl)oxyphenol?
4-(1-phenylpyrazol-4-yl)oxyphenol has a molecular weight of 252.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)oxyphenol is sourced from PubChem (CID 117229486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).