1-(4-methoxyphenyl)phthalazine

C15H12N2O — CID 22011896

IUPAC1-(4-methoxyphenyl)phthalazine
SMILESCOc1ccc(-c2nncc3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c1-18-13-8-6-11(7-9-13)15-14-5-3-2-4-12(14)10-16-17-15/h2-10H,1H3
InChIKeyUTELQAPOBQFBPA-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.31
Rot. Bonds2

About 1-(4-methoxyphenyl)phthalazine

1-(4-methoxyphenyl)phthalazine (PubChem CID 22011896) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)phthalazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)phthalazine
PubChem CID22011896
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(4-methoxyphenyl)phthalazine
SMILESCOc1ccc(-c2nncc3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c1-18-13-8-6-11(7-9-13)15-14-5-3-2-4-12(14)10-16-17-15/h2-10H,1H3
InChIKeyUTELQAPOBQFBPA-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)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-methoxyphenyl)phthalazine?
The IUPAC name of 1-(4-methoxyphenyl)phthalazine (CID 22011896) is 1-(4-methoxyphenyl)phthalazine.
What is the SMILES notation for 1-(4-methoxyphenyl)phthalazine?
The canonical SMILES for 1-(4-methoxyphenyl)phthalazine is COc1ccc(-c2nncc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)phthalazine?
The InChIKey is UTELQAPOBQFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-18-13-8-6-11(7-9-13)15-14-5-3-2-4-12(14)10-16-17-15/h2-10H,1H3.
What are the key properties of 1-(4-methoxyphenyl)phthalazine?
1-(4-methoxyphenyl)phthalazine has a molecular weight of 236.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)phthalazine is sourced from PubChem (CID 22011896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).