2-phthalazin-1-ylphenol

C14H10N2O — CID 136827408

IUPAC2-phthalazin-1-ylphenol
SMILESOc1ccccc1-c1nncc2ccccc12
InChIInChI=1S/C14H10N2O/c17-13-8-4-3-7-12(13)14-11-6-2-1-5-10(11)9-15-16-14/h1-9,17H
InChIKeyHCFMYRQYSDUFDI-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.00
Rot. Bonds1

About 2-phthalazin-1-ylphenol

2-phthalazin-1-ylphenol (PubChem CID 136827408) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-phthalazin-1-ylphenol.

Molecular Properties

Compound Name2-phthalazin-1-ylphenol
PubChem CID136827408
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-phthalazin-1-ylphenol
SMILESOc1ccccc1-c1nncc2ccccc12
InChIInChI=1S/C14H10N2O/c17-13-8-4-3-7-12(13)14-11-6-2-1-5-10(11)9-15-16-14/h1-9,17H
InChIKeyHCFMYRQYSDUFDI-UHFFFAOYSA-N
XLogP3.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-ylphenol?
The IUPAC name of 2-phthalazin-1-ylphenol (CID 136827408) is 2-phthalazin-1-ylphenol.
What is the SMILES notation for 2-phthalazin-1-ylphenol?
The canonical SMILES for 2-phthalazin-1-ylphenol is Oc1ccccc1-c1nncc2ccccc12.
What is the InChIKey of 2-phthalazin-1-ylphenol?
The InChIKey is HCFMYRQYSDUFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-13-8-4-3-7-12(13)14-11-6-2-1-5-10(11)9-15-16-14/h1-9,17H.
What are the key properties of 2-phthalazin-1-ylphenol?
2-phthalazin-1-ylphenol has a molecular weight of 222.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-1-ylphenol is sourced from PubChem (CID 136827408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).