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

C16H14N2O2 — CID 11821543

IUPAC4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
SMILESCc1ccccc1OCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H14N2O2/c1-11-6-2-5-9-15(11)20-10-14-12-7-3-4-8-13(12)16(19)18-17-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyFOFQMPDFKPCNQD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.81
Rot. Bonds3

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

4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one (PubChem CID 11821543) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
PubChem CID11821543
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
SMILESCc1ccccc1OCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H14N2O2/c1-11-6-2-5-9-15(11)20-10-14-12-7-3-4-8-13(12)16(19)18-17-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyFOFQMPDFKPCNQD-UHFFFAOYSA-N
XLogP2.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylphenoxy)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

Related Compounds

4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
CID 20850439
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
5-[(2-methylphenoxy)methyl]-2H-tetrazole
CID 82075517
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 95045989
5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole
CID 918344
4-[(N-methylanilino)methyl]-2H-phthalazin-1-one
CID 1482312
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one (CID 11821543) is 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one is Cc1ccccc1OCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one?
The InChIKey is FOFQMPDFKPCNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-6-2-5-9-15(11)20-10-14-12-7-3-4-8-13(12)16(19)18-17-14/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one?
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 11821543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).