ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate

C20H17ClO6 — CID 2790890

IUPACethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C20H17ClO6/c1-3-24-20(23)12(2)26-13-8-9-14-17(10-13)25-11-18(19(14)22)27-16-7-5-4-6-15(16)21/h4-12H,3H2,1-2H3
InChIKeyJYQZZQFEACSKKI-UHFFFAOYSA-N
MW388.80 g/mol
LogP4.57
Rot. Bonds6

About ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate

ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate (PubChem CID 2790890) has the molecular formula C20H17ClO6 and a molecular weight of 388.80 g/mol. Its IUPAC name is ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
PubChem CID2790890
Molecular FormulaC20H17ClO6
Molecular Weight388.80 g/mol
Exact Mass388.07
IUPAC Nameethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C20H17ClO6/c1-3-24-20(23)12(2)26-13-8-9-14-17(10-13)25-11-18(19(14)22)27-16-7-5-4-6-15(16)21/h4-12H,3H2,1-2H3
InChIKeyJYQZZQFEACSKKI-UHFFFAOYSA-N
XLogP4.57
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
The IUPAC name of ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate (CID 2790890) is ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate is CCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1.
What is the InChIKey of ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
The InChIKey is JYQZZQFEACSKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO6/c1-3-24-20(23)12(2)26-13-8-9-14-17(10-13)25-11-18(19(14)22)27-16-7-5-4-6-15(16)21/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate has a molecular weight of 388.80 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate is sourced from PubChem (CID 2790890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).