3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one

C15H14O4 — CID 101219427

IUPAC3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccccc2)oc(=O)c1OC
InChIInChI=1S/C15H14O4/c1-17-13-10-12(19-15(16)14(13)18-2)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyABRZDKKKCLXJFO-CMDGGOBGSA-N
MW258.27 g/mol
LogP2.83
Rot. Bonds4

About 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one

3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one (PubChem CID 101219427) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one.

Molecular Properties

Compound Name3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one
PubChem CID101219427
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccccc2)oc(=O)c1OC
InChIInChI=1S/C15H14O4/c1-17-13-10-12(19-15(16)14(13)18-2)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyABRZDKKKCLXJFO-CMDGGOBGSA-N
XLogP2.83
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
The IUPAC name of 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one (CID 101219427) is 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one.
What is the SMILES notation for 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
The canonical SMILES for 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one is COc1cc(/C=C/c2ccccc2)oc(=O)c1OC.
What is the InChIKey of 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
The InChIKey is ABRZDKKKCLXJFO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-13-10-12(19-15(16)14(13)18-2)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+.
What are the key properties of 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one has a molecular weight of 258.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2-one is sourced from PubChem (CID 101219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).