4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one

C15H14O3 — CID 5377029

IUPAC4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2cccc(C)c2)oc(=O)c1
InChIInChI=1S/C15H14O3/c1-11-4-3-5-12(8-11)6-7-13-9-14(17-2)10-15(16)18-13/h3-10H,1-2H3/b7-6+
InChIKeyDNXSENXCKYSNPR-VOTSOKGWSA-N
MW242.27 g/mol
LogP3.13
Rot. Bonds3

About 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one

4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one (PubChem CID 5377029) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one
PubChem CID5377029
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2cccc(C)c2)oc(=O)c1
InChIInChI=1S/C15H14O3/c1-11-4-3-5-12(8-11)6-7-13-9-14(17-2)10-15(16)18-13/h3-10H,1-2H3/b7-6+
InChIKeyDNXSENXCKYSNPR-VOTSOKGWSA-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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Related Compounds

(+)-Kavain
CID 5281565
Cinnamyl Acetate
CID 5282110
Methyl Cinnamate
CID 637520
Ethyl Cinnamate
CID 637758
Dihydrokavain
CID 10220256
Desmethoxyyangonin
CID 5273621
Linalyl cinnamate
CID 5355858
Butyl Cinnamate
CID 5273465
Isoamyl Cinnamate
CID 5273467
Allyl Cinnamate
CID 641423
Isobutyl Cinnamate
CID 778574
Goniothalamin
CID 6440856

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one (CID 5377029) is 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one is COc1cc(/C=C/c2cccc(C)c2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one?
The InChIKey is DNXSENXCKYSNPR-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-4-3-5-12(8-11)6-7-13-9-14(17-2)10-15(16)18-13/h3-10H,1-2H3/b7-6+.
What are the key properties of 4-methoxy-6-[(E)-2-(3-methylphenyl)ethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-(3-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-(3-methylphenyl)ethenyl]pyran-2-one is sourced from PubChem (CID 5377029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).