ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one

C18H22N2O4 — CID 164914334

IUPACethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one
SMILESC=C(C)c1cc(Oc2ccccc2)c(=O)n(CC)n1.CCOC=O
InChIInChI=1S/C15H16N2O2.C3H6O2/c1-4-17-15(18)14(10-13(16-17)11(2)3)19-12-8-6-5-7-9-12;1-2-5-3-4/h5-10H,2,4H2,1,3H3;3H,2H2,1H3
InChIKeyRRVFCWOICODPHO-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.27
Rot. Bonds6

About ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one

ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one (PubChem CID 164914334) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one.

Molecular Properties

Compound Nameethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one
PubChem CID164914334
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one
SMILESC=C(C)c1cc(Oc2ccccc2)c(=O)n(CC)n1.CCOC=O
InChIInChI=1S/C15H16N2O2.C3H6O2/c1-4-17-15(18)14(10-13(16-17)11(2)3)19-12-8-6-5-7-9-12;1-2-5-3-4/h5-10H,2,4H2,1,3H3;3H,2H2,1H3
InChIKeyRRVFCWOICODPHO-UHFFFAOYSA-N
XLogP3.27
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one?
The IUPAC name of ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one (CID 164914334) is ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one.
What is the SMILES notation for ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one?
The canonical SMILES for ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one is C=C(C)c1cc(Oc2ccccc2)c(=O)n(CC)n1.CCOC=O.
What is the InChIKey of ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one?
The InChIKey is RRVFCWOICODPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C3H6O2/c1-4-17-15(18)14(10-13(16-17)11(2)3)19-12-8-6-5-7-9-12;1-2-5-3-4/h5-10H,2,4H2,1,3H3;3H,2H2,1H3.
What are the key properties of ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one?
ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one has a molecular weight of 330.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;2-ethyl-4-phenoxy-6-prop-1-en-2-ylpyridazin-3-one is sourced from PubChem (CID 164914334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).