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

C15H14O4 — CID 85196120

IUPAC2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
SMILESCOc1ccc(C=Cc2cc(=O)cc(OC)o2)cc1
InChIInChI=1S/C15H14O4/c1-17-13-6-3-11(4-7-13)5-8-14-9-12(16)10-15(18-2)19-14/h3-10H,1-2H3
InChIKeyHHSHIDRPFXMPHE-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.83
Rot. Bonds4

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

2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one (PubChem CID 85196120) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one.

Molecular Properties

Compound Name2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
PubChem CID85196120
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
SMILESCOc1ccc(C=Cc2cc(=O)cc(OC)o2)cc1
InChIInChI=1S/C15H14O4/c1-17-13-6-3-11(4-7-13)5-8-14-9-12(16)10-15(18-2)19-14/h3-10H,1-2H3
InChIKeyHHSHIDRPFXMPHE-UHFFFAOYSA-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

6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
CID 162787652
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
CID 57325500
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one
CID 72747116
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-methoxy-6-[(E)-2-(4-nitrophenyl)ethenyl]pyran-2-one
CID 158493032
2-[(E)-2-(4-methoxyphenyl)ethenyl]furan
CID 11052638

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one?
The IUPAC name of 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one (CID 85196120) is 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one.
What is the SMILES notation for 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one?
The canonical SMILES for 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one is COc1ccc(C=Cc2cc(=O)cc(OC)o2)cc1.
What is the InChIKey of 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one?
The InChIKey is HHSHIDRPFXMPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-13-6-3-11(4-7-13)5-8-14-9-12(16)10-15(18-2)19-14/h3-10H,1-2H3.
What are the key properties of 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one?
2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-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 2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one is sourced from PubChem (CID 85196120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).