ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate

C22H20N2O3 — CID 54067715

IUPACethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)nn1
InChIInChI=1S/C22H20N2O3/c1-2-26-22(25)20-15-14-19(23-24-20)13-12-18-10-6-7-11-21(18)27-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyMEFAIPCIQBUXMY-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.40
Rot. Bonds7

About ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate

ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate (PubChem CID 54067715) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate
PubChem CID54067715
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Nameethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)nn1
InChIInChI=1S/C22H20N2O3/c1-2-26-22(25)20-15-14-19(23-24-20)13-12-18-10-6-7-11-21(18)27-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyMEFAIPCIQBUXMY-UHFFFAOYSA-N
XLogP4.40
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate
CID 18974104
ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
CID 93012870
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate (CID 54067715) is ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate is CCOC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)nn1.
What is the InChIKey of ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate?
The InChIKey is MEFAIPCIQBUXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-26-22(25)20-15-14-19(23-24-20)13-12-18-10-6-7-11-21(18)27-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate?
ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate is sourced from PubChem (CID 54067715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).