4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione

C15H14O5 — CID 5386973

IUPAC4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione
SMILESCOC1=CC(=O)OC(/C=C/c2ccccc2)(OC)C1=O
InChIInChI=1S/C15H14O5/c1-18-12-10-13(16)20-15(19-2,14(12)17)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyDNQQKENQQURSCZ-CMDGGOBGSA-N
MW274.27 g/mol
LogP1.70
Rot. Bonds4

About 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione

4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione (PubChem CID 5386973) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione.

Molecular Properties

Compound Name4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione
PubChem CID5386973
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione
SMILESCOC1=CC(=O)OC(/C=C/c2ccccc2)(OC)C1=O
InChIInChI=1S/C15H14O5/c1-18-12-10-13(16)20-15(19-2,14(12)17)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyDNQQKENQQURSCZ-CMDGGOBGSA-N
XLogP1.70
TPSA61.83 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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione?
The IUPAC name of 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione (CID 5386973) is 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione.
What is the SMILES notation for 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione?
The canonical SMILES for 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione is COC1=CC(=O)OC(/C=C/c2ccccc2)(OC)C1=O.
What is the InChIKey of 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione?
The InChIKey is DNQQKENQQURSCZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14O5/c1-18-12-10-13(16)20-15(19-2,14(12)17)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+.
What are the key properties of 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione?
4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione has a molecular weight of 274.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione is sourced from PubChem (CID 5386973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).