2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one

C17H16N2O3 — CID 139231441

IUPAC2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1COCCO
InChIInChI=1S/C17H16N2O3/c20-10-11-22-12-19-17(21)15-9-5-4-8-14(15)16(18-19)13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyOPJAPLJAORPSFP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.03
Rot. Bonds5

About 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one

2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one (PubChem CID 139231441) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one
PubChem CID139231441
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1COCCO
InChIInChI=1S/C17H16N2O3/c20-10-11-22-12-19-17(21)15-9-5-4-8-14(15)16(18-19)13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyOPJAPLJAORPSFP-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-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

2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one
CID 24651197
2-acetyl-4-(4-phenylphenyl)phthalazin-1-one
CID 14591946
2-(oxiran-2-ylmethyl)-4-phenylphthalazin-1-one
CID 19590659
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
4-(4-bromophenyl)-2-phenacylphthalazin-1-one
CID 22333327
4-[4-(3-ethyl-4-oxophthalazin-1-yl)phenoxy]butyl-triphenylphosphanium
CID 127045970
4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
CID 166185401
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
4-[4-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]phenoxy]butyl-triphenylphosphanium
CID 127045979
N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 1085033

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one?
The IUPAC name of 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one (CID 139231441) is 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1COCCO.
What is the InChIKey of 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one?
The InChIKey is OPJAPLJAORPSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-10-11-22-12-19-17(21)15-9-5-4-8-14(15)16(18-19)13-6-2-1-3-7-13/h1-9,20H,10-12H2.
What are the key properties of 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one?
2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one has a molecular weight of 296.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 139231441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).