1-phenoxyphthalazine

C14H10N2O — CID 613554

IUPAC1-phenoxyphthalazine
SMILESc1ccc(Oc2nncc3ccccc23)cc1
InChIInChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChIKeyCSHSXUZQMJVDJY-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.42
Rot. Bonds2

About 1-phenoxyphthalazine

1-phenoxyphthalazine (PubChem CID 613554) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-phenoxyphthalazine.

Molecular Properties

Compound Name1-phenoxyphthalazine
PubChem CID613554
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name1-phenoxyphthalazine
SMILESc1ccc(Oc2nncc3ccccc23)cc1
InChIInChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChIKeyCSHSXUZQMJVDJY-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxyphthalazine?
The IUPAC name of 1-phenoxyphthalazine (CID 613554) is 1-phenoxyphthalazine.
What is the SMILES notation for 1-phenoxyphthalazine?
The canonical SMILES for 1-phenoxyphthalazine is c1ccc(Oc2nncc3ccccc23)cc1.
What is the InChIKey of 1-phenoxyphthalazine?
The InChIKey is CSHSXUZQMJVDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H.
What are the key properties of 1-phenoxyphthalazine?
1-phenoxyphthalazine has a molecular weight of 222.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyphthalazine is sourced from PubChem (CID 613554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).