propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate

C17H20O5 — CID 2271747

IUPACpropyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCCCOC(=O)COc1ccc2c(CC)cc(=O)oc2c1C
InChIInChI=1S/C17H20O5/c1-4-8-20-16(19)10-21-14-7-6-13-12(5-2)9-15(18)22-17(13)11(14)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyXHKKAFSYMZFJFC-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.00
Rot. Bonds6

About propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate

propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 2271747) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Namepropyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID2271747
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Namepropyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCCCOC(=O)COc1ccc2c(CC)cc(=O)oc2c1C
InChIInChI=1S/C17H20O5/c1-4-8-20-16(19)10-21-14-7-6-13-12(5-2)9-15(18)22-17(13)11(14)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyXHKKAFSYMZFJFC-UHFFFAOYSA-N
XLogP3.00
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.00
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

2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
(2R)-2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 44667762
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 5029758
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate
CID 29394573
5-(carbamoylamino)-2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 3412961
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
benzyl 2-[8-methyl-2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 1331944
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate (CID 2271747) is propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate is CCCOC(=O)COc1ccc2c(CC)cc(=O)oc2c1C.
What is the InChIKey of propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is XHKKAFSYMZFJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-4-8-20-16(19)10-21-14-7-6-13-12(5-2)9-15(18)22-17(13)11(14)3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate?
propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 304.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 2271747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).