1-phenoxy-4-phenylphthalazine

C20H14N2O — CID 3102749

IUPAC1-phenoxy-4-phenylphthalazine
SMILESc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H14N2O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(22-21-19)23-16-11-5-2-6-12-16/h1-14H
InChIKeyPTGXMBPJFXPBQV-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.09
Rot. Bonds3

About 1-phenoxy-4-phenylphthalazine

1-phenoxy-4-phenylphthalazine (PubChem CID 3102749) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-phenoxy-4-phenylphthalazine.

Molecular Properties

Compound Name1-phenoxy-4-phenylphthalazine
PubChem CID3102749
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name1-phenoxy-4-phenylphthalazine
SMILESc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H14N2O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(22-21-19)23-16-11-5-2-6-12-16/h1-14H
InChIKeyPTGXMBPJFXPBQV-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-phenylphthalazine?
The IUPAC name of 1-phenoxy-4-phenylphthalazine (CID 3102749) is 1-phenoxy-4-phenylphthalazine.
What is the SMILES notation for 1-phenoxy-4-phenylphthalazine?
The canonical SMILES for 1-phenoxy-4-phenylphthalazine is c1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-phenoxy-4-phenylphthalazine?
The InChIKey is PTGXMBPJFXPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(22-21-19)23-16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1-phenoxy-4-phenylphthalazine?
1-phenoxy-4-phenylphthalazine has a molecular weight of 298.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-phenylphthalazine is sourced from PubChem (CID 3102749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).