ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate

C15H14O5 — CID 11587162

IUPACethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate
SMILESC=CCOc1cccc2cc(C(=O)OCC)c(=O)oc12
InChIInChI=1S/C15H14O5/c1-3-8-19-12-7-5-6-10-9-11(14(16)18-4-2)15(17)20-13(10)12/h3,5-7,9H,1,4,8H2,2H3
InChIKeyXCVZDROQYPDFOP-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.53
Rot. Bonds5

About ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate

ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate (PubChem CID 11587162) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate
PubChem CID11587162
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Nameethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate
SMILESC=CCOc1cccc2cc(C(=O)OCC)c(=O)oc12
InChIInChI=1S/C15H14O5/c1-3-8-19-12-7-5-6-10-9-11(14(16)18-4-2)15(17)20-13(10)12/h3,5-7,9H,1,4,8H2,2H3
InChIKeyXCVZDROQYPDFOP-UHFFFAOYSA-N
XLogP2.53
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
ethyl 8-bromo-2-oxochromene-3-carboxylate
CID 118281896
3-acetyl-8-ethoxychromen-2-one
CID 3266617
1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
CID 175384005
8-butoxy-2-oxochromene-3-carboxylic acid;hydrochloride
CID 170307373
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
methyl 8-hydroxy-2-oxochromene-3-carboxylate
CID 121222040
ethyl 6-formyl-2-oxobenzo[h]chromene-3-carboxylate
CID 44604326
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23937980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate?
The IUPAC name of ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate (CID 11587162) is ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate is C=CCOc1cccc2cc(C(=O)OCC)c(=O)oc12.
What is the InChIKey of ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate?
The InChIKey is XCVZDROQYPDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-3-8-19-12-7-5-6-10-9-11(14(16)18-4-2)15(17)20-13(10)12/h3,5-7,9H,1,4,8H2,2H3.
What are the key properties of ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate?
ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate has a molecular weight of 274.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate is sourced from PubChem (CID 11587162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).