4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one

C16H14N2O — CID 70806946

IUPAC4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one
SMILESCc1ccccc1Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-6-2-3-7-12(11)10-15-13-8-4-5-9-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyYQCHYZGKCMXAJB-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds2

About 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one

4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one (PubChem CID 70806946) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one
PubChem CID70806946
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one
SMILESCc1ccccc1Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-6-2-3-7-12(11)10-15-13-8-4-5-9-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyYQCHYZGKCMXAJB-UHFFFAOYSA-N
XLogP2.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one (CID 70806946) is 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one is Cc1ccccc1Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one?
The InChIKey is YQCHYZGKCMXAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-2-3-7-12(11)10-15-13-8-4-5-9-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one?
4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one has a molecular weight of 250.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 70806946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).