methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate

C15H16N2O3 — CID 75454570

IUPACmethyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccccc1COc1cc(C)c(C)nn1
InChIInChI=1S/C15H16N2O3/c1-10-8-14(17-16-11(10)2)20-9-12-6-4-5-7-13(12)15(18)19-3/h4-8H,9H2,1-3H3
InChIKeyLUKGYFRKDQROGZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.46
Rot. Bonds4

About methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate

methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate (PubChem CID 75454570) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate
PubChem CID75454570
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccccc1COc1cc(C)c(C)nn1
InChIInChI=1S/C15H16N2O3/c1-10-8-14(17-16-11(10)2)20-9-12-6-4-5-7-13(12)15(18)19-3/h4-8H,9H2,1-3H3
InChIKeyLUKGYFRKDQROGZ-UHFFFAOYSA-N
XLogP2.46
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11043352
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methyl 2-[2-(2-methylphenyl)ethyl]benzoate
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methyl 2-[(5-bromo-3-pyridinyl)oxymethyl]benzoate
CID 82976044
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
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2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
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CID 68872970
methyl 2-(propanoyloxymethyl)benzoate
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CID 90979154

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate?
The IUPAC name of methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate (CID 75454570) is methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate is COC(=O)c1ccccc1COc1cc(C)c(C)nn1.
What is the InChIKey of methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate?
The InChIKey is LUKGYFRKDQROGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-8-14(17-16-11(10)2)20-9-12-6-4-5-7-13(12)15(18)19-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate?
methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate has a molecular weight of 272.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate is sourced from PubChem (CID 75454570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).