(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate

C19H14Cl2O5 — CID 7925899

IUPAC(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc12
InChIInChI=1S/C19H14Cl2O5/c1-2-11-7-18(22)26-17-9-13(4-5-14(11)17)25-19(23)10-24-16-6-3-12(20)8-15(16)21/h3-9H,2,10H2,1H3
InChIKeyKNLUQQALMZQSMY-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.65
Rot. Bonds5

About (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate

(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate (PubChem CID 7925899) has the molecular formula C19H14Cl2O5 and a molecular weight of 393.22 g/mol. Its IUPAC name is (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
PubChem CID7925899
Molecular FormulaC19H14Cl2O5
Molecular Weight393.22 g/mol
Exact Mass392.02
IUPAC Name(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc12
InChIInChI=1S/C19H14Cl2O5/c1-2-11-7-18(22)26-17-9-13(4-5-14(11)17)25-19(23)10-24-16-6-3-12(20)8-15(16)21/h3-9H,2,10H2,1H3
InChIKeyKNLUQQALMZQSMY-UHFFFAOYSA-N
XLogP4.65
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 5154223
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate
CID 8879823
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
(2-oxochromen-7-yl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 7920899
(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
7-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-propylchromen-2-one
CID 23827898

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate (CID 7925899) is (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate is CCc1cc(=O)oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc12.
What is the InChIKey of (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is KNLUQQALMZQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O5/c1-2-11-7-18(22)26-17-9-13(4-5-14(11)17)25-19(23)10-24-16-6-3-12(20)8-15(16)21/h3-9H,2,10H2,1H3.
What are the key properties of (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate?
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 393.22 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 7925899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).