CAS 400865-61-4|6-(4-Methoxyphenyl)pyridazin-3(2H)-one|6-(4-methoxyphenyl)-2,3-dihydropyridazin-3-one|6-(4-methoxyphenyl)-2H-pyridazin-3-one|4-Methoxycumyl Alcohol-d6|Dimethyl(p-methoxyphenyl)carbin...

General Information

Structure

Molecular Formula

C₁₁H₁₀N₂O₂

Molecular Mass

202.2093

Exact Mass

202.07422757

Charge

InChI

InChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)10-6-7-11(14)13-12-10/h2-7H,1H3,(H,13,14)

InChIKey

HEKMSRLHSLEVMF-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)c1ccc(=O)[nH]n1

Isomeric Smiles

n1[nH]c(=O)ccc1c1ccc(cc1)OC

Calculated Properties

JChem

Acid pKa

10.345606

H Acceptors

H Donor

LogD (pH = 5.5)

1.2022055

LogD (pH = 7.4)

1.2017754

Log P

1.2022113

Molar Refractivity

57.1666

Polarizability

21.167337

Polar Surface Area

50.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

6-(4-Methoxyphenyl)pyridazin-3(2H)-one4-Methoxycumyl Alcohol-d6Dimethyl(p-methoxyphenyl)carbinol-d6(p-Methoxyphenyl)dimethylcarbinol-d64-Methoxy-α,α-dimethylbenzenemethanol-d6p-Methoxy-α,α-dimethyl-benzyl Alcohol-d62-(4-Methoxyphenyl)propan-2-ol-d62-p-Anisyl-2-propanol-d6

IUPAC name

6-(4-methoxyphenyl)-2,3-dihydropyridazin-3-one

IUPAC Traditional name

6-(4-methoxyphenyl)-2H-pyridazin-3-one

Names and Identifiers

Registration numbers

CAS Number

400865-61-4

PubChem SID

162025814

PubChem CID

2810166