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

C15H14O4 — CID 5281575

IUPAC4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
SMILESCOc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1
InChIInChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+
InChIKeyXLHIYUYCSMZCCC-VMPITWQZSA-N
MW258.27 g/mol
LogP2.83
Rot. Bonds4

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

4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one (PubChem CID 5281575) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
PubChem CID5281575
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
SMILESCOc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1
InChIInChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+
InChIKeyXLHIYUYCSMZCCC-VMPITWQZSA-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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Related Compounds

Anethole
CID 637563
Coumarin
CID 323
Estragole
CID 8815
Octinoxate
CID 5355130
O-Methoxycinnamaldehyde, (E)-
CID 641298
Cyclofenil
CID 2898
6-Methylcoumarin
CID 7092
5,7-Dimethoxycoumarin
CID 2775
4-Methoxycinnamic Acid
CID 699414
4-Methylphenyl acetate
CID 8797
4-Methylanisole
CID 7731
1'-Acetoxychavicol Acetate
CID 119104

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one (CID 5281575) is 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one is COc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1.
What is the InChIKey of 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one?
The InChIKey is XLHIYUYCSMZCCC-VMPITWQZSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+.
What are the key properties of 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]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 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one is sourced from PubChem (CID 5281575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).