1-methyl-4-phenoxyphthalazine

C15H12N2O — CID 657694

IUPAC1-methyl-4-phenoxyphthalazine
SMILESCc1nnc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C15H12N2O/c1-11-13-9-5-6-10-14(13)15(17-16-11)18-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyYZAOSZMLNQMDJD-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.73
Rot. Bonds2

About 1-methyl-4-phenoxyphthalazine

1-methyl-4-phenoxyphthalazine (PubChem CID 657694) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-4-phenoxyphthalazine.

Molecular Properties

Compound Name1-methyl-4-phenoxyphthalazine
PubChem CID657694
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-methyl-4-phenoxyphthalazine
SMILESCc1nnc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C15H12N2O/c1-11-13-9-5-6-10-14(13)15(17-16-11)18-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyYZAOSZMLNQMDJD-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenoxyphthalazine?
The IUPAC name of 1-methyl-4-phenoxyphthalazine (CID 657694) is 1-methyl-4-phenoxyphthalazine.
What is the SMILES notation for 1-methyl-4-phenoxyphthalazine?
The canonical SMILES for 1-methyl-4-phenoxyphthalazine is Cc1nnc(Oc2ccccc2)c2ccccc12.
What is the InChIKey of 1-methyl-4-phenoxyphthalazine?
The InChIKey is YZAOSZMLNQMDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-13-9-5-6-10-14(13)15(17-16-11)18-12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-methyl-4-phenoxyphthalazine?
1-methyl-4-phenoxyphthalazine has a molecular weight of 236.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxyphthalazine is sourced from PubChem (CID 657694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).