4-(2-butoxyphenyl)pyridazine

C14H16N2O — CID 173145819

IUPAC4-(2-butoxyphenyl)pyridazine
SMILESCCCCOc1ccccc1-c1ccnnc1
InChIInChI=1S/C14H16N2O/c1-2-3-10-17-14-7-5-4-6-13(14)12-8-9-15-16-11-12/h4-9,11H,2-3,10H2,1H3
InChIKeyZEOOCIUOUBIWNF-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.32
Rot. Bonds5

About 4-(2-butoxyphenyl)pyridazine

4-(2-butoxyphenyl)pyridazine (PubChem CID 173145819) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(2-butoxyphenyl)pyridazine.

Molecular Properties

Compound Name4-(2-butoxyphenyl)pyridazine
PubChem CID173145819
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-(2-butoxyphenyl)pyridazine
SMILESCCCCOc1ccccc1-c1ccnnc1
InChIInChI=1S/C14H16N2O/c1-2-3-10-17-14-7-5-4-6-13(14)12-8-9-15-16-11-12/h4-9,11H,2-3,10H2,1H3
InChIKeyZEOOCIUOUBIWNF-UHFFFAOYSA-N
XLogP3.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine
CID 174337763
1-octadecoxy-2-phenylbenzene
CID 70983974
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
4-butoxy-3-phenylpyridine
CID 91002416
2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 131884841
4-(2-ethoxyphenyl)pyridine
CID 23466193
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
2-(2-butoxyphenyl)benzamide
CID 174985404
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
4-(2-nonoxyphenyl)benzamide
CID 67822371
1-butoxy-2-fluoro-3-phenylbenzene
CID 175805388
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyphenyl)pyridazine?
The IUPAC name of 4-(2-butoxyphenyl)pyridazine (CID 173145819) is 4-(2-butoxyphenyl)pyridazine.
What is the SMILES notation for 4-(2-butoxyphenyl)pyridazine?
The canonical SMILES for 4-(2-butoxyphenyl)pyridazine is CCCCOc1ccccc1-c1ccnnc1.
What is the InChIKey of 4-(2-butoxyphenyl)pyridazine?
The InChIKey is ZEOOCIUOUBIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-3-10-17-14-7-5-4-6-13(14)12-8-9-15-16-11-12/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 4-(2-butoxyphenyl)pyridazine?
4-(2-butoxyphenyl)pyridazine has a molecular weight of 228.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyphenyl)pyridazine is sourced from PubChem (CID 173145819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).