1-(oxolan-2-ylmethoxy)-4-phenylphthalazine

C19H18N2O2 — CID 2946258

IUPAC1-(oxolan-2-ylmethoxy)-4-phenylphthalazine
SMILESc1ccc(-c2nnc(OCC3CCCO3)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-2-7-14(8-3-1)18-16-10-4-5-11-17(16)19(21-20-18)23-13-15-9-6-12-22-15/h1-5,7-8,10-11,15H,6,9,12-13H2
InChIKeyYQSBXKRJTUXTJL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.85
Rot. Bonds4

About 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine

1-(oxolan-2-ylmethoxy)-4-phenylphthalazine (PubChem CID 2946258) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethoxy)-4-phenylphthalazine
PubChem CID2946258
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(oxolan-2-ylmethoxy)-4-phenylphthalazine
SMILESc1ccc(-c2nnc(OCC3CCCO3)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-2-7-14(8-3-1)18-16-10-4-5-11-17(16)19(21-20-18)23-13-15-9-6-12-22-15/h1-5,7-8,10-11,15H,6,9,12-13H2
InChIKeyYQSBXKRJTUXTJL-UHFFFAOYSA-N
XLogP3.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine?
The IUPAC name of 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine (CID 2946258) is 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine.
What is the SMILES notation for 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine?
The canonical SMILES for 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine is c1ccc(-c2nnc(OCC3CCCO3)c3ccccc23)cc1.
What is the InChIKey of 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine?
The InChIKey is YQSBXKRJTUXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-7-14(8-3-1)18-16-10-4-5-11-17(16)19(21-20-18)23-13-15-9-6-12-22-15/h1-5,7-8,10-11,15H,6,9,12-13H2.
What are the key properties of 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine?
1-(oxolan-2-ylmethoxy)-4-phenylphthalazine has a molecular weight of 306.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine is sourced from PubChem (CID 2946258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).