2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

C15H14N2O2 — CID 135971393

IUPAC2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1C1=NNC(c2ccccc2O)C1
InChIInChI=1S/C15H14N2O2/c18-14-7-3-1-5-10(14)12-9-13(17-16-12)11-6-2-4-8-15(11)19/h1-8,12,16,18-19H,9H2
InChIKeyINFGLUYMRONKHY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.54
Rot. Bonds2

About 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 135971393) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID135971393
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1C1=NNC(c2ccccc2O)C1
InChIInChI=1S/C15H14N2O2/c18-14-7-3-1-5-10(14)12-9-13(17-16-12)11-6-2-4-8-15(11)19/h1-8,12,16,18-19H,9H2
InChIKeyINFGLUYMRONKHY-UHFFFAOYSA-N
XLogP2.54
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Cambridge id 6605013
CID 2905011
Mycobactin-IN-2
CID 2905332
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 2936980
2-(5-(4-Fluorophenyl)-4,5-dihydro-1H-pyrazol-3-YL)phenol
CID 3430440
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4738346
2-[5-(2-Fluorophenyl)-2-pyrazolin-3-yl]phenol
CID 5175667
2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 135546206
4-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226201
4-[5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226202
2-[5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 166633111
4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 53248952
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 135971393) is 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is Oc1ccccc1C1=NNC(c2ccccc2O)C1.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is INFGLUYMRONKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14-7-3-1-5-10(14)12-9-13(17-16-12)11-6-2-4-8-15(11)19/h1-8,12,16,18-19H,9H2.
What are the key properties of 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 254.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135971393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).