(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate

C21H19ClO5 — CID 8615722

IUPAC(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCCc1ccc2c(COC(=O)Cc3cc(Cl)ccc3OC)cc(=O)oc2c1
InChIInChI=1S/C21H19ClO5/c1-3-13-4-6-17-15(11-21(24)27-19(17)8-13)12-26-20(23)10-14-9-16(22)5-7-18(14)25-2/h4-9,11H,3,10,12H2,1-2H3
InChIKeyQLEJMBQKVDCLEY-UHFFFAOYSA-N
MW386.83 g/mol
LogP4.30
Rot. Bonds6

About (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate

(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8615722) has the molecular formula C21H19ClO5 and a molecular weight of 386.83 g/mol. Its IUPAC name is (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8615722
Molecular FormulaC21H19ClO5
Molecular Weight386.83 g/mol
Exact Mass386.09
IUPAC Name(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCCc1ccc2c(COC(=O)Cc3cc(Cl)ccc3OC)cc(=O)oc2c1
InChIInChI=1S/C21H19ClO5/c1-3-13-4-6-17-15(11-21(24)27-19(17)8-13)12-26-20(23)10-14-9-16(22)5-7-18(14)25-2/h4-9,11H,3,10,12H2,1-2H3
InChIKeyQLEJMBQKVDCLEY-UHFFFAOYSA-N
XLogP4.30
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-ethyl-2-oxochromen-4-yl)methyl 3-fluoro-4-methoxybenzoate
CID 8702528
(7-ethyl-2-oxochromen-4-yl)methyl 2,4,5-trimethoxybenzoate
CID 8753682
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate
CID 7803829
(7-ethyl-2-oxochromen-4-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 18228106
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
(7-ethyl-2-oxochromen-4-yl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7966052
(7-ethyl-2-oxochromen-4-yl)methyl 2-(1H-indol-3-yl)acetate
CID 7960202
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-chlorophenyl)acetate
CID 8579219
(7-ethyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate
CID 41279510
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenyl)acetate
CID 7951138
(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 5154223

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate (CID 8615722) is (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate is CCc1ccc2c(COC(=O)Cc3cc(Cl)ccc3OC)cc(=O)oc2c1.
What is the InChIKey of (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is QLEJMBQKVDCLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClO5/c1-3-13-4-6-17-15(11-21(24)27-19(17)8-13)12-26-20(23)10-14-9-16(22)5-7-18(14)25-2/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 386.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8615722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).