1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine

C22H18N2O — CID 6401676

IUPAC1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-15-7-11-17(12-8-15)21-19-5-3-4-6-20(19)22(24-23-21)25-18-13-9-16(2)10-14-18/h3-14H,1-2H3
InChIKeyOTJZUJIOQMDRGZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.71
Rot. Bonds3

About 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine

1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine (PubChem CID 6401676) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine
PubChem CID6401676
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-15-7-11-17(12-8-15)21-19-5-3-4-6-20(19)22(24-23-21)25-18-13-9-16(2)10-14-18/h3-14H,1-2H3
InChIKeyOTJZUJIOQMDRGZ-UHFFFAOYSA-N
XLogP5.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine 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 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The IUPAC name of 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine (CID 6401676) is 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine is Cc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The InChIKey is OTJZUJIOQMDRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-15-7-11-17(12-8-15)21-19-5-3-4-6-20(19)22(24-23-21)25-18-13-9-16(2)10-14-18/h3-14H,1-2H3.
What are the key properties of 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine has a molecular weight of 326.40 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-4-(4-methylphenyl)phthalazine is sourced from PubChem (CID 6401676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).