4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one

C13H14N2O2 — CID 10513640

IUPAC4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one
SMILESCCOCc1cc(=O)[nH]nc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-17-9-11-8-12(16)14-15-13(11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,14,16)
InChIKeyRQARHXMBFKAOEQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.97
Rot. Bonds4

About 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one

4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 10513640) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID10513640
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one
SMILESCCOCc1cc(=O)[nH]nc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-17-9-11-8-12(16)14-15-13(11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,14,16)
InChIKeyRQARHXMBFKAOEQ-UHFFFAOYSA-N
XLogP1.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one
CID 10755494
4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one
CID 22135515
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one
CID 102397728
dibenzyl 2-[(6-oxo-3-phenyl-1H-pyridazin-4-yl)methylidene]propanedioate
CID 24750393
1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene
CID 164919122
1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene
CID 139792807
1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
CID 153390147
6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one
CID 23014023
3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
CID 5158500
3-(4-ethylphenyl)-4-methyl-1H-pyridazin-6-one
CID 62783668
4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
CID 3770299

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one (CID 10513640) is 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one is CCOCc1cc(=O)[nH]nc1-c1ccccc1.
What is the InChIKey of 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is RQARHXMBFKAOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-9-11-8-12(16)14-15-13(11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,14,16).
What are the key properties of 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one?
4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 10513640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).