3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C18H13F3N2O2 — CID 3073153

IUPAC3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2cccc(C(F)(F)F)c2)nc1OCc1ccccc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)14-7-4-8-15(11-14)23-10-9-16(24)17(22-23)25-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyAVMFZGAPUSUDOR-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.83
Rot. Bonds4

About 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 3073153) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID3073153
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2cccc(C(F)(F)F)c2)nc1OCc1ccccc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)14-7-4-8-15(11-14)23-10-9-16(24)17(22-23)25-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyAVMFZGAPUSUDOR-UHFFFAOYSA-N
XLogP3.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 3073153) is 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is AVMFZGAPUSUDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)14-7-4-8-15(11-14)23-10-9-16(24)17(22-23)25-12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 346.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 3073153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).