(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate

C21H20O6 — CID 7844520

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C21H20O6/c1-3-24-17-6-4-5-7-18(17)25-13-21(23)26-12-15-11-20(22)27-19-10-14(2)8-9-16(15)19/h4-11H,3,12-13H2,1-2H3
InChIKeyKNQLXOVKTFTCCR-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.62
Rot. Bonds7

About (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate

(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate (PubChem CID 7844520) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
PubChem CID7844520
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C21H20O6/c1-3-24-17-6-4-5-7-18(17)25-13-21(23)26-12-15-11-20(22)27-19-10-14(2)8-9-16(15)19/h4-11H,3,12-13H2,1-2H3
InChIKeyKNQLXOVKTFTCCR-UHFFFAOYSA-N
XLogP3.62
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.62
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

(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524489
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenoxy)acetate
CID 5172794
(7-methyl-2-oxochromen-4-yl)methyl 2-(3-acetylphenoxy)acetate
CID 7902974
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2,3-dimethylphenoxy)acetate
CID 7981980
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282
4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
CID 7859252
(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 30112317
(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911848
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4236785
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-nitrophenyl)acetate
CID 3310308
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(2,3-dimethylphenoxy)acetate
CID 7982065

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate (CID 7844520) is (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)OCc1cc(=O)oc2cc(C)ccc12.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate?
The InChIKey is KNQLXOVKTFTCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O6/c1-3-24-17-6-4-5-7-18(17)25-13-21(23)26-12-15-11-20(22)27-19-10-14(2)8-9-16(15)19/h4-11H,3,12-13H2,1-2H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate?
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate has a molecular weight of 368.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 7844520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).