ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate

C17H20O5 — CID 2902717

IUPACethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(CC)cc(=O)oc2c1C
InChIInChI=1S/C17H20O5/c1-5-12-9-15(18)22-16-10(3)14(8-7-13(12)16)21-11(4)17(19)20-6-2/h7-9,11H,5-6H2,1-4H3
InChIKeyMAUARNLUDJTUHZ-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate

ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate (PubChem CID 2902717) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate
PubChem CID2902717
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Nameethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(CC)cc(=O)oc2c1C
InChIInChI=1S/C17H20O5/c1-5-12-9-15(18)22-16-10(3)14(8-7-13(12)16)21-11(4)17(19)20-6-2/h7-9,11H,5-6H2,1-4H3
InChIKeyMAUARNLUDJTUHZ-UHFFFAOYSA-N
XLogP2.99
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate?
The IUPAC name of ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate (CID 2902717) is ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate.
What is the SMILES notation for ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate?
The canonical SMILES for ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate is CCOC(=O)C(C)Oc1ccc2c(CC)cc(=O)oc2c1C.
What is the InChIKey of ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate?
The InChIKey is MAUARNLUDJTUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-5-12-9-15(18)22-16-10(3)14(8-7-13(12)16)21-11(4)17(19)20-6-2/h7-9,11H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate?
ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate has a molecular weight of 304.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoate is sourced from PubChem (CID 2902717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).