1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine

C22H18N2O2 — CID 2939087

IUPAC1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCOc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)22(24-23-21)26-18-13-11-17(25-2)12-14-18/h3-14H,1-2H3
InChIKeyIKWHNZAEDAHHFH-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.41
Rot. Bonds4

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

1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine (PubChem CID 2939087) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine
PubChem CID2939087
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCOc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)22(24-23-21)26-18-13-11-17(25-2)12-14-18/h3-14H,1-2H3
InChIKeyIKWHNZAEDAHHFH-UHFFFAOYSA-N
XLogP5.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine
CID 2945112
1-(4-Methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6401676
3-(4-Methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
CID 6404525
1-(4-Methylphenoxy)-4-phenylphthalazine
CID 6413250
3,4-Bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine
CID 10115219
3,4-Bis(4-methoxyphenyl)-6-(3,4-difluorophenoxy)pyridazine
CID 10159092
3,4-Bis(4-methoxyphenyl)-6-(phenoxy)pyridazine
CID 10178057
3,4-Bis(4-methoxyphenyl)-6-(2,6-difluorophenoxy)pyridazine
CID 10223878
3,4-Bis(4-methoxyphenyl)-6-(2,3-difluorophenoxy)pyridazine
CID 10273629
3,4-Bis(4-methoxyphenyl)-6-(4-methoxyphenoxy)pyridazine
CID 10295270
3,4-Bis(4-methoxyphenyl)-6-(2,5-difluorophenoxy)pyridazine
CID 10295622
1-Methoxy-4-(4-methylphenyl)phthalazine
CID 2881546

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine?
The IUPAC name of 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine (CID 2939087) is 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine is COc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine?
The InChIKey is IKWHNZAEDAHHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)22(24-23-21)26-18-13-11-17(25-2)12-14-18/h3-14H,1-2H3.
What are the key properties of 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine?
1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine has a molecular weight of 342.40 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-4-(4-methylphenyl)phthalazine is sourced from PubChem (CID 2939087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).