1-(2-fluorophenoxy)-4-methylphthalazine

C15H11FN2O — CID 2998081

IUPAC1-(2-fluorophenoxy)-4-methylphthalazine
SMILESCc1nnc(Oc2ccccc2F)c2ccccc12
InChIInChI=1S/C15H11FN2O/c1-10-11-6-2-3-7-12(11)15(18-17-10)19-14-9-5-4-8-13(14)16/h2-9H,1H3
InChIKeyJNKVVULKSRWDGT-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.87
Rot. Bonds2

About 1-(2-fluorophenoxy)-4-methylphthalazine

1-(2-fluorophenoxy)-4-methylphthalazine (PubChem CID 2998081) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-4-methylphthalazine.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-4-methylphthalazine
PubChem CID2998081
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-(2-fluorophenoxy)-4-methylphthalazine
SMILESCc1nnc(Oc2ccccc2F)c2ccccc12
InChIInChI=1S/C15H11FN2O/c1-10-11-6-2-3-7-12(11)15(18-17-10)19-14-9-5-4-8-13(14)16/h2-9H,1H3
InChIKeyJNKVVULKSRWDGT-UHFFFAOYSA-N
XLogP3.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-4-methylphthalazine?
The IUPAC name of 1-(2-fluorophenoxy)-4-methylphthalazine (CID 2998081) is 1-(2-fluorophenoxy)-4-methylphthalazine.
What is the SMILES notation for 1-(2-fluorophenoxy)-4-methylphthalazine?
The canonical SMILES for 1-(2-fluorophenoxy)-4-methylphthalazine is Cc1nnc(Oc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-(2-fluorophenoxy)-4-methylphthalazine?
The InChIKey is JNKVVULKSRWDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10-11-6-2-3-7-12(11)15(18-17-10)19-14-9-5-4-8-13(14)16/h2-9H,1H3.
What are the key properties of 1-(2-fluorophenoxy)-4-methylphthalazine?
1-(2-fluorophenoxy)-4-methylphthalazine has a molecular weight of 254.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-4-methylphthalazine is sourced from PubChem (CID 2998081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).