4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one

C19H20N2O3 — CID 163550871

IUPAC4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2C2=CCC(C)(OC)C=C2)cc1
InChIInChI=1S/C19H20N2O3/c1-19(24-3)10-8-13(9-11-19)16-12-17(22)20-21-18(16)14-4-6-15(23-2)7-5-14/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyFIYNENQQKIHVFT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds4

About 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one

4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 163550871) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID163550871
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2C2=CCC(C)(OC)C=C2)cc1
InChIInChI=1S/C19H20N2O3/c1-19(24-3)10-8-13(9-11-19)16-12-17(22)20-21-18(16)14-4-6-15(23-2)7-5-14/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyFIYNENQQKIHVFT-UHFFFAOYSA-N
XLogP3.19
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one (CID 163550871) is 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one is COc1ccc(-c2n[nH]c(=O)cc2C2=CCC(C)(OC)C=C2)cc1.
What is the InChIKey of 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is FIYNENQQKIHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(24-3)10-8-13(9-11-19)16-12-17(22)20-21-18(16)14-4-6-15(23-2)7-5-14/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one?
4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 324.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 163550871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).