1-phenyl-4-propan-2-yloxyphthalazine

C17H16N2O — CID 2836685

IUPAC1-phenyl-4-propan-2-yloxyphthalazine
SMILESCC(C)Oc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N2O/c1-12(2)20-17-15-11-7-6-10-14(15)16(18-19-17)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyYTUUISGCLVFXDA-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.08
Rot. Bonds3

About 1-phenyl-4-propan-2-yloxyphthalazine

1-phenyl-4-propan-2-yloxyphthalazine (PubChem CID 2836685) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-phenyl-4-propan-2-yloxyphthalazine.

Molecular Properties

Compound Name1-phenyl-4-propan-2-yloxyphthalazine
PubChem CID2836685
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-phenyl-4-propan-2-yloxyphthalazine
SMILESCC(C)Oc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N2O/c1-12(2)20-17-15-11-7-6-10-14(15)16(18-19-17)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyYTUUISGCLVFXDA-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propan-2-yloxyphthalazine?
The IUPAC name of 1-phenyl-4-propan-2-yloxyphthalazine (CID 2836685) is 1-phenyl-4-propan-2-yloxyphthalazine.
What is the SMILES notation for 1-phenyl-4-propan-2-yloxyphthalazine?
The canonical SMILES for 1-phenyl-4-propan-2-yloxyphthalazine is CC(C)Oc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-phenyl-4-propan-2-yloxyphthalazine?
The InChIKey is YTUUISGCLVFXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(2)20-17-15-11-7-6-10-14(15)16(18-19-17)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of 1-phenyl-4-propan-2-yloxyphthalazine?
1-phenyl-4-propan-2-yloxyphthalazine has a molecular weight of 264.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propan-2-yloxyphthalazine is sourced from PubChem (CID 2836685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).