5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol

C17H16N2O3 — CID 764663

IUPAC5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
SMILESCCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1
InChIInChI=1S/C17H16N2O3/c1-2-21-13-8-9-14(15(20)10-13)17-16(11-18-19-17)22-12-6-4-3-5-7-12/h3-11,20H,2H2,1H3,(H,18,19)
InChIKeyVHIJNQUDGOJEGI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.97
Rot. Bonds5

About 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol

5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol (PubChem CID 764663) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
PubChem CID764663
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
SMILESCCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1
InChIInChI=1S/C17H16N2O3/c1-2-21-13-8-9-14(15(20)10-13)17-16(11-18-19-17)22-12-6-4-3-5-7-12/h3-11,20H,2H2,1H3,(H,18,19)
InChIKeyVHIJNQUDGOJEGI-UHFFFAOYSA-N
XLogP3.97
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol?
The IUPAC name of 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol (CID 764663) is 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol is CCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol?
The InChIKey is VHIJNQUDGOJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-21-13-8-9-14(15(20)10-13)17-16(11-18-19-17)22-12-6-4-3-5-7-12/h3-11,20H,2H2,1H3,(H,18,19).
What are the key properties of 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol?
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol has a molecular weight of 296.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 764663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).