ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate

C18H16O6 — CID 3374835

IUPACethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1c(-c2ccco2)oc2ccccc2c1=O
InChIInChI=1S/C18H16O6/c1-3-21-18(20)11(2)23-17-15(19)12-7-4-5-8-13(12)24-16(17)14-9-6-10-22-14/h4-11H,3H2,1-2H3
InChIKeyZEOANNSEISKCCY-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.38
Rot. Bonds5

About ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate

ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate (PubChem CID 3374835) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
PubChem CID3374835
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Nameethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1c(-c2ccco2)oc2ccccc2c1=O
InChIInChI=1S/C18H16O6/c1-3-21-18(20)11(2)23-17-15(19)12-7-4-5-8-13(12)24-16(17)14-9-6-10-22-14/h4-11H,3H2,1-2H3
InChIKeyZEOANNSEISKCCY-UHFFFAOYSA-N
XLogP3.38
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoylamino]benzoate
CID 46303511
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
CID 46303519
ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
CID 7732374
ethyl (2S)-2-dibenzofuran-4-yloxypropanoate
CID 129404181
ethyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 4112757
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one
CID 1413730
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
CID 21001500
[2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 4184550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
The IUPAC name of ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate (CID 3374835) is ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate is CCOC(=O)C(C)Oc1c(-c2ccco2)oc2ccccc2c1=O.
What is the InChIKey of ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
The InChIKey is ZEOANNSEISKCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-3-21-18(20)11(2)23-17-15(19)12-7-4-5-8-13(12)24-16(17)14-9-6-10-22-14/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate has a molecular weight of 328.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate is sourced from PubChem (CID 3374835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).