propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C15H16O5 — CID 2788108

IUPACpropan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OC(C)C)ccc12
InChIInChI=1S/C15H16O5/c1-9(2)19-15(17)8-18-11-4-5-12-10(3)6-14(16)20-13(12)7-11/h4-7,9H,8H2,1-3H3
InChIKeyXHGLKLWRDVVSJA-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.43
Rot. Bonds4

About propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 2788108) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID2788108
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namepropan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OC(C)C)ccc12
InChIInChI=1S/C15H16O5/c1-9(2)19-15(17)8-18-11-4-5-12-10(3)6-14(16)20-13(12)7-11/h4-7,9H,8H2,1-3H3
InChIKeyXHGLKLWRDVVSJA-UHFFFAOYSA-N
XLogP2.43
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.43
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

[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844178
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844184
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2445277
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844211
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858747
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858957

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 2788108) is propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)OC(C)C)ccc12.
What is the InChIKey of propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is XHGLKLWRDVVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-9(2)19-15(17)8-18-11-4-5-12-10(3)6-14(16)20-13(12)7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 276.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 2788108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).