6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one

C16H16O3 — CID 5377448

IUPAC6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one
SMILESCCc1cccc(/C=C/c2cc(OC)cc(=O)o2)c1
InChIInChI=1S/C16H16O3/c1-3-12-5-4-6-13(9-12)7-8-14-10-15(18-2)11-16(17)19-14/h4-11H,3H2,1-2H3/b8-7+
InChIKeyHEHNAOFESIUNKE-BQYQJAHWSA-N
MW256.30 g/mol
LogP3.38
Rot. Bonds4

About 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one

6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one (PubChem CID 5377448) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one
PubChem CID5377448
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one
SMILESCCc1cccc(/C=C/c2cc(OC)cc(=O)o2)c1
InChIInChI=1S/C16H16O3/c1-3-12-5-4-6-13(9-12)7-8-14-10-15(18-2)11-16(17)19-14/h4-11H,3H2,1-2H3/b8-7+
InChIKeyHEHNAOFESIUNKE-BQYQJAHWSA-N
XLogP3.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one (CID 5377448) is 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one is CCc1cccc(/C=C/c2cc(OC)cc(=O)o2)c1.
What is the InChIKey of 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one?
The InChIKey is HEHNAOFESIUNKE-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-12-5-4-6-13(9-12)7-8-14-10-15(18-2)11-16(17)19-14/h4-11H,3H2,1-2H3/b8-7+.
What are the key properties of 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one?
6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one has a molecular weight of 256.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(3-ethylphenyl)ethenyl]-4-methoxypyran-2-one is sourced from PubChem (CID 5377448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).