6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one

C14H16N2O2 — CID 23014019

IUPAC6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one
SMILESCc1cc(=O)c(Oc2ccccc2C(C)C)n[nH]1
InChIInChI=1S/C14H16N2O2/c1-9(2)11-6-4-5-7-13(11)18-14-12(17)8-10(3)15-16-14/h4-9H,1-3H3,(H,15,17)
InChIKeyCDLRQYPVUGZCCL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.99
Rot. Bonds3

About 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one

6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one (PubChem CID 23014019) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one
PubChem CID23014019
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one
SMILESCc1cc(=O)c(Oc2ccccc2C(C)C)n[nH]1
InChIInChI=1S/C14H16N2O2/c1-9(2)11-6-4-5-7-13(11)18-14-12(17)8-10(3)15-16-14/h4-9H,1-3H3,(H,15,17)
InChIKeyCDLRQYPVUGZCCL-UHFFFAOYSA-N
XLogP2.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine
CID 81341859
5-bromo-4-(2-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114676052
6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
CID 168585556
N-[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341286
6-chloro-3-(2-fluorophenoxy)-1H-pyridazin-4-one
CID 22940108
6-chloro-3-(3-chloro-2-methylphenoxy)-1H-pyridazin-4-one
CID 23014103
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787
6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one
CID 23014023
6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545714
2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
CID 115555233
3-chloro-6-(2-propan-2-ylphenoxy)pyridazine
CID 54915404
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one?
The IUPAC name of 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one (CID 23014019) is 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one.
What is the SMILES notation for 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one?
The canonical SMILES for 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one is Cc1cc(=O)c(Oc2ccccc2C(C)C)n[nH]1.
What is the InChIKey of 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one?
The InChIKey is CDLRQYPVUGZCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)11-6-4-5-7-13(11)18-14-12(17)8-10(3)15-16-14/h4-9H,1-3H3,(H,15,17).
What are the key properties of 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one?
6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one has a molecular weight of 244.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one is sourced from PubChem (CID 23014019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).