4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one

C15H14O3 — CID 5377028

IUPAC4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccc(C)cc2)oc(=O)c1
InChIInChI=1S/C15H14O3/c1-11-3-5-12(6-4-11)7-8-13-9-14(17-2)10-15(16)18-13/h3-10H,1-2H3/b8-7+
InChIKeyQLUNYCJEMCODEG-BQYQJAHWSA-N
MW242.27 g/mol
LogP3.13
Rot. Bonds3

About 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one

4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one (PubChem CID 5377028) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one
PubChem CID5377028
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccc(C)cc2)oc(=O)c1
InChIInChI=1S/C15H14O3/c1-11-3-5-12(6-4-11)7-8-13-9-14(17-2)10-15(16)18-13/h3-10H,1-2H3/b8-7+
InChIKeyQLUNYCJEMCODEG-BQYQJAHWSA-N
XLogP3.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one (CID 5377028) is 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one is COc1cc(/C=C/c2ccc(C)cc2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one?
The InChIKey is QLUNYCJEMCODEG-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-3-5-12(6-4-11)7-8-13-9-14(17-2)10-15(16)18-13/h3-10H,1-2H3/b8-7+.
What are the key properties of 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one has a molecular weight of 242.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-2-(4-methylphenyl)ethenyl]pyran-2-one is sourced from PubChem (CID 5377028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).