2-(4-bromophthalazin-1-yl)-5-methylphenol

C15H11BrN2O — CID 166151465

IUPAC2-(4-bromophthalazin-1-yl)-5-methylphenol
SMILESCc1ccc(-c2nnc(Br)c3ccccc23)c(O)c1
InChIInChI=1S/C15H11BrN2O/c1-9-6-7-12(13(19)8-9)14-10-4-2-3-5-11(10)15(16)18-17-14/h2-8,19H,1H3
InChIKeyGKYWPOOOGQXTJA-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.07
Rot. Bonds1

About 2-(4-bromophthalazin-1-yl)-5-methylphenol

2-(4-bromophthalazin-1-yl)-5-methylphenol (PubChem CID 166151465) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(4-bromophthalazin-1-yl)-5-methylphenol.

Molecular Properties

Compound Name2-(4-bromophthalazin-1-yl)-5-methylphenol
PubChem CID166151465
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(4-bromophthalazin-1-yl)-5-methylphenol
SMILESCc1ccc(-c2nnc(Br)c3ccccc23)c(O)c1
InChIInChI=1S/C15H11BrN2O/c1-9-6-7-12(13(19)8-9)14-10-4-2-3-5-11(10)15(16)18-17-14/h2-8,19H,1H3
InChIKeyGKYWPOOOGQXTJA-UHFFFAOYSA-N
XLogP4.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophthalazin-1-yl)-5-methylphenol?
The IUPAC name of 2-(4-bromophthalazin-1-yl)-5-methylphenol (CID 166151465) is 2-(4-bromophthalazin-1-yl)-5-methylphenol.
What is the SMILES notation for 2-(4-bromophthalazin-1-yl)-5-methylphenol?
The canonical SMILES for 2-(4-bromophthalazin-1-yl)-5-methylphenol is Cc1ccc(-c2nnc(Br)c3ccccc23)c(O)c1.
What is the InChIKey of 2-(4-bromophthalazin-1-yl)-5-methylphenol?
The InChIKey is GKYWPOOOGQXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-9-6-7-12(13(19)8-9)14-10-4-2-3-5-11(10)15(16)18-17-14/h2-8,19H,1H3.
What are the key properties of 2-(4-bromophthalazin-1-yl)-5-methylphenol?
2-(4-bromophthalazin-1-yl)-5-methylphenol has a molecular weight of 315.17 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophthalazin-1-yl)-5-methylphenol is sourced from PubChem (CID 166151465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).