2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one

C15H18N2O3 — CID 106548987

IUPAC2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(C)cc1C(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C15H18N2O3/c1-10-4-5-14(20-3)12(6-10)13(18)9-17-15(19)7-11(2)8-16-17/h4-8,13,18H,9H2,1-3H3
InChIKeyUALPPAFOTXXDRU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds4

About 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one

2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548987) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one
PubChem CID106548987
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(C)cc1C(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C15H18N2O3/c1-10-4-5-14(20-3)12(6-10)13(18)9-17-15(19)7-11(2)8-16-17/h4-8,13,18H,9H2,1-3H3
InChIKeyUALPPAFOTXXDRU-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-1,2,3-benzotriazin-4-one
CID 51086563
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548597
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one (CID 106548987) is 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one is COc1ccc(C)cc1C(O)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one?
The InChIKey is UALPPAFOTXXDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-5-14(20-3)12(6-10)13(18)9-17-15(19)7-11(2)8-16-17/h4-8,13,18H,9H2,1-3H3.
What are the key properties of 2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one?
2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 1.60, 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-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).