2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one

C16H20N2O3 — CID 105062059

IUPAC2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H20N2O3/c1-10-7-11(2)16(12(3)8-10)13(19)9-18-15(20)6-5-14(17-18)21-4/h5-8,13,19H,9H2,1-4H3
InChIKeyFWZPQGFHNNMIRI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.91
Rot. Bonds4

About 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one

2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one (PubChem CID 105062059) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one
PubChem CID105062059
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H20N2O3/c1-10-7-11(2)16(12(3)8-10)13(19)9-18-15(20)6-5-14(17-18)21-4/h5-8,13,19H,9H2,1-4H3
InChIKeyFWZPQGFHNNMIRI-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061852
2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one
CID 105061640
4-[(3-methoxy-6-oxopyridazin-1-yl)methyl]-3-methylbenzoic acid
CID 105062208
2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one
CID 107523229
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
6-methoxy-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 105061674
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 75388765

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one (CID 105062059) is 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)c2c(C)cc(C)cc2C)n1.
What is the InChIKey of 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is FWZPQGFHNNMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-7-11(2)16(12(3)8-10)13(19)9-18-15(20)6-5-14(17-18)21-4/h5-8,13,19H,9H2,1-4H3.
What are the key properties of 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one?
2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).