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

C19H15ClO6 — CID 1188429

IUPACethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C19H15ClO6/c1-2-23-18(21)11-24-12-7-8-13-16(9-12)25-10-17(19(13)22)26-15-6-4-3-5-14(15)20/h3-10H,2,11H2,1H3
InChIKeyMSOREZHBQPZTRF-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.18
Rot. Bonds6

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

ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate (PubChem CID 1188429) has the molecular formula C19H15ClO6 and a molecular weight of 374.78 g/mol. Its IUPAC name is ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate
PubChem CID1188429
Molecular FormulaC19H15ClO6
Molecular Weight374.78 g/mol
Exact Mass374.06
IUPAC Nameethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C19H15ClO6/c1-2-23-18(21)11-24-12-7-8-13-16(9-12)25-10-17(19(13)22)26-15-6-4-3-5-14(15)20/h3-10H,2,11H2,1H3
InChIKeyMSOREZHBQPZTRF-UHFFFAOYSA-N
XLogP4.18
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.18
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]oxyacetate?
The IUPAC name of ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate (CID 1188429) is ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate?
The canonical SMILES for ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate is CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1.
What is the InChIKey of ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate?
The InChIKey is MSOREZHBQPZTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO6/c1-2-23-18(21)11-24-12-7-8-13-16(9-12)25-10-17(19(13)22)26-15-6-4-3-5-14(15)20/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate?
ethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxyacetate has a molecular weight of 374.78 g/mol, XLogP of 4.18, 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]oxyacetate is sourced from PubChem (CID 1188429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).