2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol

C15H12N2O3 — CID 117229367

IUPAC2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol
SMILESOc1cccc(Oc2cnn(-c3ccccc3O)c2)c1
InChIInChI=1S/C15H12N2O3/c18-11-4-3-5-12(8-11)20-13-9-16-17(10-13)14-6-1-2-7-15(14)19/h1-10,18-19H
InChIKeyLUDVEBNEHCXUKS-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.08
Rot. Bonds3

About 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol

2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol (PubChem CID 117229367) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol
PubChem CID117229367
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol
SMILESOc1cccc(Oc2cnn(-c3ccccc3O)c2)c1
InChIInChI=1S/C15H12N2O3/c18-11-4-3-5-12(8-11)20-13-9-16-17(10-13)14-6-1-2-7-15(14)19/h1-10,18-19H
InChIKeyLUDVEBNEHCXUKS-UHFFFAOYSA-N
XLogP3.08
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol?
The IUPAC name of 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol (CID 117229367) is 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol?
The canonical SMILES for 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol is Oc1cccc(Oc2cnn(-c3ccccc3O)c2)c1.
What is the InChIKey of 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol?
The InChIKey is LUDVEBNEHCXUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-11-4-3-5-12(8-11)20-13-9-16-17(10-13)14-6-1-2-7-15(14)19/h1-10,18-19H.
What are the key properties of 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol?
2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol has a molecular weight of 268.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol is sourced from PubChem (CID 117229367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).