3-[(2-ethylphenyl)-methoxymethyl]pyridazine

C14H16N2O — CID 21387586

IUPAC3-[(2-ethylphenyl)-methoxymethyl]pyridazine
SMILESCCc1ccccc1C(OC)c1cccnn1
InChIInChI=1S/C14H16N2O/c1-3-11-7-4-5-8-12(11)14(17-2)13-9-6-10-15-16-13/h4-10,14H,3H2,1-2H3
InChIKeyQHIXCZWOUXPQFP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.77
Rot. Bonds4

About 3-[(2-ethylphenyl)-methoxymethyl]pyridazine

3-[(2-ethylphenyl)-methoxymethyl]pyridazine (PubChem CID 21387586) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)-methoxymethyl]pyridazine.

Molecular Properties

Compound Name3-[(2-ethylphenyl)-methoxymethyl]pyridazine
PubChem CID21387586
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-[(2-ethylphenyl)-methoxymethyl]pyridazine
SMILESCCc1ccccc1C(OC)c1cccnn1
InChIInChI=1S/C14H16N2O/c1-3-11-7-4-5-8-12(11)14(17-2)13-9-6-10-15-16-13/h4-10,14H,3H2,1-2H3
InChIKeyQHIXCZWOUXPQFP-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)-methoxymethyl]pyridazine?
The IUPAC name of 3-[(2-ethylphenyl)-methoxymethyl]pyridazine (CID 21387586) is 3-[(2-ethylphenyl)-methoxymethyl]pyridazine.
What is the SMILES notation for 3-[(2-ethylphenyl)-methoxymethyl]pyridazine?
The canonical SMILES for 3-[(2-ethylphenyl)-methoxymethyl]pyridazine is CCc1ccccc1C(OC)c1cccnn1.
What is the InChIKey of 3-[(2-ethylphenyl)-methoxymethyl]pyridazine?
The InChIKey is QHIXCZWOUXPQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-11-7-4-5-8-12(11)14(17-2)13-9-6-10-15-16-13/h4-10,14H,3H2,1-2H3.
What are the key properties of 3-[(2-ethylphenyl)-methoxymethyl]pyridazine?
3-[(2-ethylphenyl)-methoxymethyl]pyridazine has a molecular weight of 228.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)-methoxymethyl]pyridazine is sourced from PubChem (CID 21387586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).