1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine

C19H14N2OS — CID 6401103

IUPAC1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine
SMILESCc1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)22-19-16-6-3-2-5-15(16)18(20-21-19)17-7-4-12-23-17/h2-12H,1H3
InChIKeyMPHAAZXUJPQEQP-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.46
Rot. Bonds3

About 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine

1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine (PubChem CID 6401103) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine.

Molecular Properties

Compound Name1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine
PubChem CID6401103
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine
SMILESCc1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)22-19-16-6-3-2-5-15(16)18(20-21-19)17-7-4-12-23-17/h2-12H,1H3
InChIKeyMPHAAZXUJPQEQP-UHFFFAOYSA-N
XLogP5.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine?
The IUPAC name of 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine (CID 6401103) is 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine.
What is the SMILES notation for 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine?
The canonical SMILES for 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine is Cc1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine?
The InChIKey is MPHAAZXUJPQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)22-19-16-6-3-2-5-15(16)18(20-21-19)17-7-4-12-23-17/h2-12H,1H3.
What are the key properties of 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine?
1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine has a molecular weight of 318.40 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-4-thiophen-2-ylphthalazine is sourced from PubChem (CID 6401103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).