2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one

C24H30N2O2Si — CID 59843023

IUPAC2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C24H30N2O2Si/c1-24(2,3)29(4,5)28-21-13-11-19(12-14-21)17-18-26-23(27)16-15-22(25-26)20-9-7-6-8-10-20/h6-16H,17-18H2,1-5H3
InChIKeyBNFWDUUISLIRQV-UHFFFAOYSA-N
MW406.60 g/mol
LogP5.54
Rot. Bonds6

About 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one

2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one (PubChem CID 59843023) has the molecular formula C24H30N2O2Si and a molecular weight of 406.60 g/mol. Its IUPAC name is 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one
PubChem CID59843023
Molecular FormulaC24H30N2O2Si
Molecular Weight406.60 g/mol
Exact Mass406.21
IUPAC Name2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C24H30N2O2Si/c1-24(2,3)29(4,5)28-21-13-11-19(12-14-21)17-18-26-23(27)16-15-22(25-26)20-9-7-6-8-10-20/h6-16H,17-18H2,1-5H3
InChIKeyBNFWDUUISLIRQV-UHFFFAOYSA-N
XLogP5.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one (CID 59843023) is 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one is CC(C)(C)[Si](C)(C)Oc1ccc(CCn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one?
The InChIKey is BNFWDUUISLIRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2Si/c1-24(2,3)29(4,5)28-21-13-11-19(12-14-21)17-18-26-23(27)16-15-22(25-26)20-9-7-6-8-10-20/h6-16H,17-18H2,1-5H3.
What are the key properties of 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one?
2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one has a molecular weight of 406.60 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 59843023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).