1-phenylmethoxyphthalazine

C15H12N2O — CID 6410693

IUPAC1-phenylmethoxyphthalazine
SMILESc1ccc(COc2nncc3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c1-2-6-12(7-3-1)11-18-15-14-9-5-4-8-13(14)10-16-17-15/h1-10H,11H2
InChIKeyFESWLBAUNNRIKY-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.21
Rot. Bonds3

About 1-phenylmethoxyphthalazine

1-phenylmethoxyphthalazine (PubChem CID 6410693) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-phenylmethoxyphthalazine.

Molecular Properties

Compound Name1-phenylmethoxyphthalazine
PubChem CID6410693
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-phenylmethoxyphthalazine
SMILESc1ccc(COc2nncc3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c1-2-6-12(7-3-1)11-18-15-14-9-5-4-8-13(14)10-16-17-15/h1-10H,11H2
InChIKeyFESWLBAUNNRIKY-UHFFFAOYSA-N
XLogP3.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxyphthalazine?
The IUPAC name of 1-phenylmethoxyphthalazine (CID 6410693) is 1-phenylmethoxyphthalazine.
What is the SMILES notation for 1-phenylmethoxyphthalazine?
The canonical SMILES for 1-phenylmethoxyphthalazine is c1ccc(COc2nncc3ccccc23)cc1.
What is the InChIKey of 1-phenylmethoxyphthalazine?
The InChIKey is FESWLBAUNNRIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-6-12(7-3-1)11-18-15-14-9-5-4-8-13(14)10-16-17-15/h1-10H,11H2.
What are the key properties of 1-phenylmethoxyphthalazine?
1-phenylmethoxyphthalazine has a molecular weight of 236.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxyphthalazine is sourced from PubChem (CID 6410693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).