(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate

C19H14Cl2O6 — CID 5154223

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
SMILESCOc1ccc2c(COC(=O)COc3ccc(Cl)cc3Cl)cc(=O)oc2c1
InChIInChI=1S/C19H14Cl2O6/c1-24-13-3-4-14-11(6-18(22)27-17(14)8-13)9-26-19(23)10-25-16-5-2-12(20)7-15(16)21/h2-8H,9-10H2,1H3
InChIKeyOVXGFNRYSFIQFR-UHFFFAOYSA-N
MW409.22 g/mol
LogP4.23
Rot. Bonds6

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

(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 5154223) has the molecular formula C19H14Cl2O6 and a molecular weight of 409.22 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID5154223
Molecular FormulaC19H14Cl2O6
Molecular Weight409.22 g/mol
Exact Mass408.02
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
SMILESCOc1ccc2c(COC(=O)COc3ccc(Cl)cc3Cl)cc(=O)oc2c1
InChIInChI=1S/C19H14Cl2O6/c1-24-13-3-4-14-11(6-18(22)27-17(14)8-13)9-26-19(23)10-25-16-5-2-12(20)7-15(16)21/h2-8H,9-10H2,1H3
InChIKeyOVXGFNRYSFIQFR-UHFFFAOYSA-N
XLogP4.23
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one
CID 25154800
4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 4998771
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
CID 10565549
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654387
4-[(4-chloro-2-nitrophenoxy)methyl]-7-methoxychromen-2-one
CID 7979890
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
(7-methoxy-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)propanoate
CID 46793705

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate (CID 5154223) is (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate is COc1ccc2c(COC(=O)COc3ccc(Cl)cc3Cl)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is OVXGFNRYSFIQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O6/c1-24-13-3-4-14-11(6-18(22)27-17(14)8-13)9-26-19(23)10-25-16-5-2-12(20)7-15(16)21/h2-8H,9-10H2,1H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate?
(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 409.22 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 5154223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).