1-(4-methylphenoxy)-4-phenylphthalazine

C21H16N2O — CID 6413250

IUPAC1-(4-methylphenoxy)-4-phenylphthalazine
SMILESCc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)24-21-19-10-6-5-9-18(19)20(22-23-21)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyNMQQXMBZDOOJDH-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.40
Rot. Bonds3

About 1-(4-methylphenoxy)-4-phenylphthalazine

1-(4-methylphenoxy)-4-phenylphthalazine (PubChem CID 6413250) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(4-methylphenoxy)-4-phenylphthalazine
PubChem CID6413250
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-(4-methylphenoxy)-4-phenylphthalazine
SMILESCc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)24-21-19-10-6-5-9-18(19)20(22-23-21)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyNMQQXMBZDOOJDH-UHFFFAOYSA-N
XLogP5.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-4-phenylphthalazine?
The IUPAC name of 1-(4-methylphenoxy)-4-phenylphthalazine (CID 6413250) is 1-(4-methylphenoxy)-4-phenylphthalazine.
What is the SMILES notation for 1-(4-methylphenoxy)-4-phenylphthalazine?
The canonical SMILES for 1-(4-methylphenoxy)-4-phenylphthalazine is Cc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-4-phenylphthalazine?
The InChIKey is NMQQXMBZDOOJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)24-21-19-10-6-5-9-18(19)20(22-23-21)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 1-(4-methylphenoxy)-4-phenylphthalazine?
1-(4-methylphenoxy)-4-phenylphthalazine has a molecular weight of 312.37 g/mol, XLogP of 5.40, 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-phenylphthalazine is sourced from PubChem (CID 6413250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).