1-(3-fluorophenoxy)-4-methylphthalazine

C15H11FN2O — CID 20971235

IUPAC1-(3-fluorophenoxy)-4-methylphthalazine
SMILESCc1nnc(Oc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C15H11FN2O/c1-10-13-7-2-3-8-14(13)15(18-17-10)19-12-6-4-5-11(16)9-12/h2-9H,1H3
InChIKeyGAIHQNNLRNVBFX-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.87
Rot. Bonds2

About 1-(3-fluorophenoxy)-4-methylphthalazine

1-(3-fluorophenoxy)-4-methylphthalazine (PubChem CID 20971235) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)-4-methylphthalazine.

Molecular Properties

Compound Name1-(3-fluorophenoxy)-4-methylphthalazine
PubChem CID20971235
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-(3-fluorophenoxy)-4-methylphthalazine
SMILESCc1nnc(Oc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C15H11FN2O/c1-10-13-7-2-3-8-14(13)15(18-17-10)19-12-6-4-5-11(16)9-12/h2-9H,1H3
InChIKeyGAIHQNNLRNVBFX-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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Related Compounds

1-(3-fluorophenoxy)-4-phenylphthalazine
CID 22011922
3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098671
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
[3-carbamoyl-1-(3-fluorophenoxy)isoquinolin-4-yl] acetate
CID 91524725
1-(2-iodophenoxy)-4-methylphthalazine
CID 60965908
2,3,5-trichloro-6-(3-fluorophenoxy)pyridine
CID 102749547
1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine
CID 62141168
3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
CID 24658495
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81054224
1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
CID 63880024
3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine
CID 53381937

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)-4-methylphthalazine?
The IUPAC name of 1-(3-fluorophenoxy)-4-methylphthalazine (CID 20971235) is 1-(3-fluorophenoxy)-4-methylphthalazine.
What is the SMILES notation for 1-(3-fluorophenoxy)-4-methylphthalazine?
The canonical SMILES for 1-(3-fluorophenoxy)-4-methylphthalazine is Cc1nnc(Oc2cccc(F)c2)c2ccccc12.
What is the InChIKey of 1-(3-fluorophenoxy)-4-methylphthalazine?
The InChIKey is GAIHQNNLRNVBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10-13-7-2-3-8-14(13)15(18-17-10)19-12-6-4-5-11(16)9-12/h2-9H,1H3.
What are the key properties of 1-(3-fluorophenoxy)-4-methylphthalazine?
1-(3-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-(3-fluorophenoxy)-4-methylphthalazine is sourced from PubChem (CID 20971235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).