[(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate

C15H16O6 — CID 53305566

IUPAC[(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate
SMILESCOc1ccc(O[C@@H]2C=CC(=O)[C@@H](COC(C)=O)O2)cc1
InChIInChI=1S/C15H16O6/c1-10(16)19-9-14-13(17)7-8-15(21-14)20-12-5-3-11(18-2)4-6-12/h3-8,14-15H,9H2,1-2H3/t14-,15+/m1/s1
InChIKeyLLAVTKFZTVKHTG-CABCVRRESA-N
MW292.29 g/mol
LogP1.49
Rot. Bonds5

About [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate

[(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate (PubChem CID 53305566) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate
PubChem CID53305566
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name[(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate
SMILESCOc1ccc(O[C@@H]2C=CC(=O)[C@@H](COC(C)=O)O2)cc1
InChIInChI=1S/C15H16O6/c1-10(16)19-9-14-13(17)7-8-15(21-14)20-12-5-3-11(18-2)4-6-12/h3-8,14-15H,9H2,1-2H3/t14-,15+/m1/s1
InChIKeyLLAVTKFZTVKHTG-CABCVRRESA-N
XLogP1.49
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,6R)-3-acetyloxy-6-(4-methoxyphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10936603
[(3S,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
CID 144836714
[(2R,3R,4S,5R)-3,5-diacetyloxy-4-methoxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
CID 146660885
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-(4-methoxyphenoxy)-5-methyloxan-2-yl]methyl acetate
CID 59576451
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-hydroxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
CID 172882945
[(2R,3S,6R)-6-(4-acetamidophenoxy)-3-acetyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 66681966
[(2R,3S,6R)-3-acetyloxy-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11404409
[(6S)-5-oxo-6-pent-4-enyl-2H-pyran-2-yl] acetate
CID 102430834
[(2R,3S,6S)-3-acetyloxy-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethoxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 132568044
[(2S,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
CID 41094363
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(dimethoxyphosphorylamino)-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
CID 102083096
[(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11068451

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate (CID 53305566) is [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate is COc1ccc(O[C@@H]2C=CC(=O)[C@@H](COC(C)=O)O2)cc1.
What is the InChIKey of [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate?
The InChIKey is LLAVTKFZTVKHTG-CABCVRRESA-N. The full InChI is InChI=1S/C15H16O6/c1-10(16)19-9-14-13(17)7-8-15(21-14)20-12-5-3-11(18-2)4-6-12/h3-8,14-15H,9H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate?
[(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate has a molecular weight of 292.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2-(4-methoxyphenoxy)-5-oxo-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 53305566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).