1-(4-methoxyphenoxy)-4-methylphthalazine

C16H14N2O2 — CID 2939344

IUPAC1-(4-methoxyphenoxy)-4-methylphthalazine
SMILESCOc1ccc(Oc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-11-14-5-3-4-6-15(14)16(18-17-11)20-13-9-7-12(19-2)8-10-13/h3-10H,1-2H3
InChIKeyURSNYSFIPOXJAM-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.74
Rot. Bonds3

About 1-(4-methoxyphenoxy)-4-methylphthalazine

1-(4-methoxyphenoxy)-4-methylphthalazine (PubChem CID 2939344) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-4-methylphthalazine.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-4-methylphthalazine
PubChem CID2939344
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(4-methoxyphenoxy)-4-methylphthalazine
SMILESCOc1ccc(Oc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-11-14-5-3-4-6-15(14)16(18-17-11)20-13-9-7-12(19-2)8-10-13/h3-10H,1-2H3
InChIKeyURSNYSFIPOXJAM-UHFFFAOYSA-N
XLogP3.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-4-methylphthalazine?
The IUPAC name of 1-(4-methoxyphenoxy)-4-methylphthalazine (CID 2939344) is 1-(4-methoxyphenoxy)-4-methylphthalazine.
What is the SMILES notation for 1-(4-methoxyphenoxy)-4-methylphthalazine?
The canonical SMILES for 1-(4-methoxyphenoxy)-4-methylphthalazine is COc1ccc(Oc2nnc(C)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-4-methylphthalazine?
The InChIKey is URSNYSFIPOXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-14-5-3-4-6-15(14)16(18-17-11)20-13-9-7-12(19-2)8-10-13/h3-10H,1-2H3.
What are the key properties of 1-(4-methoxyphenoxy)-4-methylphthalazine?
1-(4-methoxyphenoxy)-4-methylphthalazine has a molecular weight of 266.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-4-methylphthalazine is sourced from PubChem (CID 2939344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).