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

C19H15ClO6 — CID 2918773

IUPACmethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C19H15ClO6/c1-11(19(22)23-2)25-12-7-8-13-16(9-12)24-10-17(18(13)21)26-15-6-4-3-5-14(15)20/h3-11H,1-2H3
InChIKeyUBTHTORPNMHRPL-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.18
Rot. Bonds5

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

methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate (PubChem CID 2918773) has the molecular formula C19H15ClO6 and a molecular weight of 374.78 g/mol. Its IUPAC name is methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
PubChem CID2918773
Molecular FormulaC19H15ClO6
Molecular Weight374.78 g/mol
Exact Mass374.06
IUPAC Namemethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C19H15ClO6/c1-11(19(22)23-2)25-12-7-8-13-16(9-12)24-10-17(18(13)21)26-15-6-4-3-5-14(15)20/h3-11H,1-2H3
InChIKeyUBTHTORPNMHRPL-UHFFFAOYSA-N
XLogP4.18
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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 methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
The IUPAC name of methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate (CID 2918773) is methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate.
What is the SMILES notation for methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
The canonical SMILES for methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate is COC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1.
What is the InChIKey of methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
The InChIKey is UBTHTORPNMHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO6/c1-11(19(22)23-2)25-12-7-8-13-16(9-12)24-10-17(18(13)21)26-15-6-4-3-5-14(15)20/h3-11H,1-2H3.
What are the key properties of methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate?
methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate has a molecular weight of 374.78 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate is sourced from PubChem (CID 2918773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).