(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate

C21H20O6 — CID 7923747

IUPAC(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
SMILESCCCc1cc(=O)oc2cc(OC(=O)COc3ccccc3OC)ccc12
InChIInChI=1S/C21H20O6/c1-3-6-14-11-20(22)27-19-12-15(9-10-16(14)19)26-21(23)13-25-18-8-5-4-7-17(18)24-2/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyOAWVKOXNTFTXBQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.74
Rot. Bonds7

About (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate

(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate (PubChem CID 7923747) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
PubChem CID7923747
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
SMILESCCCc1cc(=O)oc2cc(OC(=O)COc3ccccc3OC)ccc12
InChIInChI=1S/C21H20O6/c1-3-6-14-11-20(22)27-19-12-15(9-10-16(14)19)26-21(23)13-25-18-8-5-4-7-17(18)24-2/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyOAWVKOXNTFTXBQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
CID 7923721
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 42378552
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate?
The IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate (CID 7923747) is (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate is CCCc1cc(=O)oc2cc(OC(=O)COc3ccccc3OC)ccc12.
What is the InChIKey of (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate?
The InChIKey is OAWVKOXNTFTXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O6/c1-3-6-14-11-20(22)27-19-12-15(9-10-16(14)19)26-21(23)13-25-18-8-5-4-7-17(18)24-2/h4-5,7-12H,3,6,13H2,1-2H3.
What are the key properties of (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate?
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate has a molecular weight of 368.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 7923747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).