5-methyl-2-phthalazin-1-ylphenol

C15H12N2O — CID 137281232

IUPAC5-methyl-2-phthalazin-1-ylphenol
SMILESCc1ccc(-c2nncc3ccccc23)c(O)c1
InChIInChI=1S/C15H12N2O/c1-10-6-7-13(14(18)8-10)15-12-5-3-2-4-11(12)9-16-17-15/h2-9,18H,1H3
InChIKeyBPPNWJHYFSQWHT-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.31
Rot. Bonds1

About 5-methyl-2-phthalazin-1-ylphenol

5-methyl-2-phthalazin-1-ylphenol (PubChem CID 137281232) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-methyl-2-phthalazin-1-ylphenol.

Molecular Properties

Compound Name5-methyl-2-phthalazin-1-ylphenol
PubChem CID137281232
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-methyl-2-phthalazin-1-ylphenol
SMILESCc1ccc(-c2nncc3ccccc23)c(O)c1
InChIInChI=1S/C15H12N2O/c1-10-6-7-13(14(18)8-10)15-12-5-3-2-4-11(12)9-16-17-15/h2-9,18H,1H3
InChIKeyBPPNWJHYFSQWHT-UHFFFAOYSA-N
XLogP3.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phthalazin-1-ylphenol?
The IUPAC name of 5-methyl-2-phthalazin-1-ylphenol (CID 137281232) is 5-methyl-2-phthalazin-1-ylphenol.
What is the SMILES notation for 5-methyl-2-phthalazin-1-ylphenol?
The canonical SMILES for 5-methyl-2-phthalazin-1-ylphenol is Cc1ccc(-c2nncc3ccccc23)c(O)c1.
What is the InChIKey of 5-methyl-2-phthalazin-1-ylphenol?
The InChIKey is BPPNWJHYFSQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-6-7-13(14(18)8-10)15-12-5-3-2-4-11(12)9-16-17-15/h2-9,18H,1H3.
What are the key properties of 5-methyl-2-phthalazin-1-ylphenol?
5-methyl-2-phthalazin-1-ylphenol has a molecular weight of 236.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phthalazin-1-ylphenol is sourced from PubChem (CID 137281232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).