2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate

C17H18Cl2N2O4 — CID 59834524

IUPAC2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate
SMILESCC(=O)OCCc1cc(Cl)c(Oc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O4/c1-9(2)12-8-15(20-21-17(12)23)25-16-13(18)6-11(7-14(16)19)4-5-24-10(3)22/h6-9H,4-5H2,1-3H3,(H,21,23)
InChIKeyNOPYPMYDWWEEQA-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.10
Rot. Bonds6

About 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate

2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate (PubChem CID 59834524) has the molecular formula C17H18Cl2N2O4 and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate
PubChem CID59834524
Molecular FormulaC17H18Cl2N2O4
Molecular Weight385.25 g/mol
Exact Mass384.06
IUPAC Name2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate
SMILESCC(=O)OCCc1cc(Cl)c(Oc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O4/c1-9(2)12-8-15(20-21-17(12)23)25-16-13(18)6-11(7-14(16)19)4-5-24-10(3)22/h6-9H,4-5H2,1-3H3,(H,21,23)
InChIKeyNOPYPMYDWWEEQA-UHFFFAOYSA-N
XLogP4.10
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate?
The IUPAC name of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate (CID 59834524) is 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate.
What is the SMILES notation for 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate?
The canonical SMILES for 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate is CC(=O)OCCc1cc(Cl)c(Oc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate?
The InChIKey is NOPYPMYDWWEEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4/c1-9(2)12-8-15(20-21-17(12)23)25-16-13(18)6-11(7-14(16)19)4-5-24-10(3)22/h6-9H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate?
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate has a molecular weight of 385.25 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]ethyl acetate is sourced from PubChem (CID 59834524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).