1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine

C22H18N2O — CID 6401670

IUPAC1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(Oc3cccc(C)c3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-15-10-12-17(13-11-15)21-19-8-3-4-9-20(19)22(24-23-21)25-18-7-5-6-16(2)14-18/h3-14H,1-2H3
InChIKeyPJHTVPXMJKSJMV-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.71
Rot. Bonds3

About 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine

1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine (PubChem CID 6401670) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine
PubChem CID6401670
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(Oc3cccc(C)c3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-15-10-12-17(13-11-15)21-19-8-3-4-9-20(19)22(24-23-21)25-18-7-5-6-16(2)14-18/h3-14H,1-2H3
InChIKeyPJHTVPXMJKSJMV-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The IUPAC name of 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine (CID 6401670) is 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine is Cc1ccc(-c2nnc(Oc3cccc(C)c3)c3ccccc23)cc1.
What is the InChIKey of 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The InChIKey is PJHTVPXMJKSJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-15-10-12-17(13-11-15)21-19-8-3-4-9-20(19)22(24-23-21)25-18-7-5-6-16(2)14-18/h3-14H,1-2H3.
What are the key properties of 1-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine?
1-(3-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-(3-methylphenoxy)-4-(4-methylphenyl)phthalazine is sourced from PubChem (CID 6401670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).