methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate

C15H14O5 — CID 6509816

IUPACmethyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate
SMILESCCOc1ccc(C2=CC(=O)/C(=C/C(=O)OC)O2)cc1
InChIInChI=1S/C15H14O5/c1-3-19-11-6-4-10(5-7-11)13-8-12(16)14(20-13)9-15(17)18-2/h4-9H,3H2,1-2H3/b14-9-
InChIKeyRQHWFGCAEUBHLI-ZROIWOOFSA-N
MW274.27 g/mol
LogP2.08
Rot. Bonds4

About methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate

methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate (PubChem CID 6509816) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate
PubChem CID6509816
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namemethyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate
SMILESCCOc1ccc(C2=CC(=O)/C(=C/C(=O)OC)O2)cc1
InChIInChI=1S/C15H14O5/c1-3-19-11-6-4-10(5-7-11)13-8-12(16)14(20-13)9-15(17)18-2/h4-9H,3H2,1-2H3/b14-9-
InChIKeyRQHWFGCAEUBHLI-ZROIWOOFSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_M(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
3-(1-ethoxypropylidene)-5-(4-methoxyphenyl)furan-2-one
CID 71384800
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
3-(4-ethoxyphenyl)cyclopent-2-en-1-one
CID 39240486
[2-ethoxy-4-[(E)-[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 1362858
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate (CID 6509816) is methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate is CCOc1ccc(C2=CC(=O)/C(=C/C(=O)OC)O2)cc1.
What is the InChIKey of methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate?
The InChIKey is RQHWFGCAEUBHLI-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H14O5/c1-3-19-11-6-4-10(5-7-11)13-8-12(16)14(20-13)9-15(17)18-2/h4-9H,3H2,1-2H3/b14-9-.
What are the key properties of methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate?
methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate has a molecular weight of 274.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate is sourced from PubChem (CID 6509816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).