3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one

C18H18N2O — CID 25022419

IUPAC3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCc2ccc(-c3ccccc3)cc2)=NN1
InChIInChI=1S/C18H18N2O/c21-18-13-12-17(19-20-18)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10H,8,11-13H2,(H,20,21)
InChIKeyPPBZRVMSMALZCX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.55
Rot. Bonds4

About 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 25022419) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID25022419
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCc2ccc(-c3ccccc3)cc2)=NN1
InChIInChI=1S/C18H18N2O/c21-18-13-12-17(19-20-18)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10H,8,11-13H2,(H,20,21)
InChIKeyPPBZRVMSMALZCX-UHFFFAOYSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one (CID 25022419) is 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(CCc2ccc(-c3ccccc3)cc2)=NN1.
What is the InChIKey of 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PPBZRVMSMALZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18-13-12-17(19-20-18)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10H,8,11-13H2,(H,20,21).
What are the key properties of 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 278.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 25022419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).