[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone

C18H18N2O2 — CID 10541823

IUPAC[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-16-11-9-14(10-12-16)17-8-5-13-20(19-17)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyMPARVLXPFNFBTO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.34
Rot. Bonds3

About [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone

[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone (PubChem CID 10541823) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
PubChem CID10541823
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-16-11-9-14(10-12-16)17-8-5-13-20(19-17)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyMPARVLXPFNFBTO-UHFFFAOYSA-N
XLogP3.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The IUPAC name of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone (CID 10541823) is [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone.
What is the SMILES notation for [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The canonical SMILES for [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone is COc1ccc(C2=NN(C(=O)c3ccccc3)CCC2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The InChIKey is MPARVLXPFNFBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-16-11-9-14(10-12-16)17-8-5-13-20(19-17)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3.
What are the key properties of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone has a molecular weight of 294.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone is sourced from PubChem (CID 10541823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).