1-phenoxy-4-thiophen-2-ylphthalazine

C18H12N2OS — CID 6401430

IUPAC1-phenoxy-4-thiophen-2-ylphthalazine
SMILESc1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C18H12N2OS/c1-2-7-13(8-3-1)21-18-15-10-5-4-9-14(15)17(19-20-18)16-11-6-12-22-16/h1-12H
InChIKeyMLACWDWLXNUWKV-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.15
Rot. Bonds3

About 1-phenoxy-4-thiophen-2-ylphthalazine

1-phenoxy-4-thiophen-2-ylphthalazine (PubChem CID 6401430) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-phenoxy-4-thiophen-2-ylphthalazine.

Molecular Properties

Compound Name1-phenoxy-4-thiophen-2-ylphthalazine
PubChem CID6401430
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name1-phenoxy-4-thiophen-2-ylphthalazine
SMILESc1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C18H12N2OS/c1-2-7-13(8-3-1)21-18-15-10-5-4-9-14(15)17(19-20-18)16-11-6-12-22-16/h1-12H
InChIKeyMLACWDWLXNUWKV-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-thiophen-2-ylphthalazine?
The IUPAC name of 1-phenoxy-4-thiophen-2-ylphthalazine (CID 6401430) is 1-phenoxy-4-thiophen-2-ylphthalazine.
What is the SMILES notation for 1-phenoxy-4-thiophen-2-ylphthalazine?
The canonical SMILES for 1-phenoxy-4-thiophen-2-ylphthalazine is c1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1.
What is the InChIKey of 1-phenoxy-4-thiophen-2-ylphthalazine?
The InChIKey is MLACWDWLXNUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c1-2-7-13(8-3-1)21-18-15-10-5-4-9-14(15)17(19-20-18)16-11-6-12-22-16/h1-12H.
What are the key properties of 1-phenoxy-4-thiophen-2-ylphthalazine?
1-phenoxy-4-thiophen-2-ylphthalazine has a molecular weight of 304.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-thiophen-2-ylphthalazine is sourced from PubChem (CID 6401430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).