(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate

C19H15FO5 — CID 8879849

IUPAC(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)COc3cccc(F)c3)ccc12
InChIInChI=1S/C19H15FO5/c1-2-12-8-18(21)25-17-10-15(6-7-16(12)17)24-19(22)11-23-14-5-3-4-13(20)9-14/h3-10H,2,11H2,1H3
InChIKeyREDYFJFSWICOKI-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.48
Rot. Bonds5

About (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate

(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate (PubChem CID 8879849) has the molecular formula C19H15FO5 and a molecular weight of 342.32 g/mol. Its IUPAC name is (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
PubChem CID8879849
Molecular FormulaC19H15FO5
Molecular Weight342.32 g/mol
Exact Mass342.09
IUPAC Name(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)COc3cccc(F)c3)ccc12
InChIInChI=1S/C19H15FO5/c1-2-12-8-18(21)25-17-10-15(6-7-16(12)17)24-19(22)11-23-14-5-3-4-13(20)9-14/h3-10H,2,11H2,1H3
InChIKeyREDYFJFSWICOKI-UHFFFAOYSA-N
XLogP3.48
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.48
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

butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate
CID 8914762
(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate
CID 8879823
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
CID 18870058
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate?
The IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate (CID 8879849) is (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate?
The canonical SMILES for (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate is CCc1cc(=O)oc2cc(OC(=O)COc3cccc(F)c3)ccc12.
What is the InChIKey of (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate?
The InChIKey is REDYFJFSWICOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO5/c1-2-12-8-18(21)25-17-10-15(6-7-16(12)17)24-19(22)11-23-14-5-3-4-13(20)9-14/h3-10H,2,11H2,1H3.
What are the key properties of (4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate?
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate has a molecular weight of 342.32 g/mol, XLogP of 3.48, 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-(3-fluorophenoxy)acetate is sourced from PubChem (CID 8879849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).