2-methyl-6-phthalazin-1-ylphenol

C15H12N2O — CID 137276964

IUPAC2-methyl-6-phthalazin-1-ylphenol
SMILESCc1cccc(-c2nncc3ccccc23)c1O
InChIInChI=1S/C15H12N2O/c1-10-5-4-8-13(15(10)18)14-12-7-3-2-6-11(12)9-16-17-14/h2-9,18H,1H3
InChIKeySZMAWYBQQVXLMJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.31
Rot. Bonds1

About 2-methyl-6-phthalazin-1-ylphenol

2-methyl-6-phthalazin-1-ylphenol (PubChem CID 137276964) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-6-phthalazin-1-ylphenol.

Molecular Properties

Compound Name2-methyl-6-phthalazin-1-ylphenol
PubChem CID137276964
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-methyl-6-phthalazin-1-ylphenol
SMILESCc1cccc(-c2nncc3ccccc23)c1O
InChIInChI=1S/C15H12N2O/c1-10-5-4-8-13(15(10)18)14-12-7-3-2-6-11(12)9-16-17-14/h2-9,18H,1H3
InChIKeySZMAWYBQQVXLMJ-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 2-methyl-6-phthalazin-1-ylphenol?
The IUPAC name of 2-methyl-6-phthalazin-1-ylphenol (CID 137276964) is 2-methyl-6-phthalazin-1-ylphenol.
What is the SMILES notation for 2-methyl-6-phthalazin-1-ylphenol?
The canonical SMILES for 2-methyl-6-phthalazin-1-ylphenol is Cc1cccc(-c2nncc3ccccc23)c1O.
What is the InChIKey of 2-methyl-6-phthalazin-1-ylphenol?
The InChIKey is SZMAWYBQQVXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-5-4-8-13(15(10)18)14-12-7-3-2-6-11(12)9-16-17-14/h2-9,18H,1H3.
What are the key properties of 2-methyl-6-phthalazin-1-ylphenol?
2-methyl-6-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 2-methyl-6-phthalazin-1-ylphenol is sourced from PubChem (CID 137276964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).