6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde

C15H16N2O2 — CID 82299639

IUPAC6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)nn2)cc1C(C)C
InChIInChI=1S/C15H16N2O2/c1-10(2)13-8-11(4-7-15(13)19-3)14-6-5-12(9-18)16-17-14/h4-10H,1-3H3
InChIKeyKFDVOJYIQALFGD-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.09
Rot. Bonds4

About 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde

6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde (PubChem CID 82299639) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
PubChem CID82299639
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)nn2)cc1C(C)C
InChIInChI=1S/C15H16N2O2/c1-10(2)13-8-11(4-7-15(13)19-3)14-6-5-12(9-18)16-17-14/h4-10H,1-3H3
InChIKeyKFDVOJYIQALFGD-UHFFFAOYSA-N
XLogP3.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
CID 82294072
6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
CID 116857718
3-(4-methoxy-3-propan-2-ylphenyl)-1-prop-2-enylpyrazole-5-carbaldehyde
CID 84761276
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 94699090
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
CID 82078805
5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
CID 116868801
6-methoxypyridazine-3-carbaldehyde
CID 13227306
4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde
CID 22493610

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde (CID 82299639) is 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde is COc1ccc(-c2ccc(C=O)nn2)cc1C(C)C.
What is the InChIKey of 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde?
The InChIKey is KFDVOJYIQALFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)13-8-11(4-7-15(13)19-3)14-6-5-12(9-18)16-17-14/h4-10H,1-3H3.
What are the key properties of 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde?
6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82299639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).