4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one

C15H14O5 — CID 163070862

IUPAC4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one
SMILESCOc1ccc([C@H]2O[C@@H]2c2cc(OC)cc(=O)o2)cc1
InChIInChI=1S/C15H14O5/c1-17-10-5-3-9(4-6-10)14-15(20-14)12-7-11(18-2)8-13(16)19-12/h3-8,14-15H,1-2H3/t14-,15-/m1/s1
InChIKeyTZFFHRMBFYPIBW-HUUCEWRRSA-N
MW274.27 g/mol
LogP2.47
Rot. Bonds4

About 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one

4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one (PubChem CID 163070862) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one
PubChem CID163070862
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one
SMILESCOc1ccc([C@H]2O[C@@H]2c2cc(OC)cc(=O)o2)cc1
InChIInChI=1S/C15H14O5/c1-17-10-5-3-9(4-6-10)14-15(20-14)12-7-11(18-2)8-13(16)19-12/h3-8,14-15H,1-2H3/t14-,15-/m1/s1
InChIKeyTZFFHRMBFYPIBW-HUUCEWRRSA-N
XLogP2.47
TPSA61.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
(2S,3S)-2-(3,5-dimethoxyphenyl)-3-phenyloxirane
CID 131844967
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
tert-butyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 15315317
tert-butyl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 135529667
propan-2-yl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 11107343
potassium (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 23702120
potassium (2R,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 139621521
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one (CID 163070862) is 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one is COc1ccc([C@H]2O[C@@H]2c2cc(OC)cc(=O)o2)cc1.
What is the InChIKey of 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one?
The InChIKey is TZFFHRMBFYPIBW-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H14O5/c1-17-10-5-3-9(4-6-10)14-15(20-14)12-7-11(18-2)8-13(16)19-12/h3-8,14-15H,1-2H3/t14-,15-/m1/s1.
What are the key properties of 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one?
4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one has a molecular weight of 274.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one is sourced from PubChem (CID 163070862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).