4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol

C15H14N2O — CID 135505744

IUPAC4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol
SMILESOc1ccc(C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C15H14N2O/c18-14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-9,18H,10-11H2
InChIKeyFYJQHGFGZUCXNS-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.01
Rot. Bonds2

About 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol

4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol (PubChem CID 135505744) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol
PubChem CID135505744
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol
SMILESOc1ccc(C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C15H14N2O/c18-14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-9,18H,10-11H2
InChIKeyFYJQHGFGZUCXNS-UHFFFAOYSA-N
XLogP3.01
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol?
The IUPAC name of 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol (CID 135505744) is 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol.
What is the SMILES notation for 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol?
The canonical SMILES for 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol is Oc1ccc(C2=NN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol?
The InChIKey is FYJQHGFGZUCXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-9,18H,10-11H2.
What are the key properties of 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol?
4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol has a molecular weight of 238.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-3,4-dihydropyrazol-5-yl)phenol is sourced from PubChem (CID 135505744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).