4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one

C22H18O6 — CID 57325500

IUPAC4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccc(/C=C/c3cc(OC)cc(=O)o3)cc2)oc(=O)c1
InChIInChI=1S/C22H18O6/c1-25-19-11-17(27-21(23)13-19)9-7-15-3-5-16(6-4-15)8-10-18-12-20(26-2)14-22(24)28-18/h3-14H,1-2H3/b9-7+,10-8+
InChIKeyQVNXHWCUVXBSNR-FIFLTTCUSA-N
MW378.38 g/mol
LogP3.95
Rot. Bonds6

About 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one

4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one (PubChem CID 57325500) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
PubChem CID57325500
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccc(/C=C/c3cc(OC)cc(=O)o3)cc2)oc(=O)c1
InChIInChI=1S/C22H18O6/c1-25-19-11-17(27-21(23)13-19)9-7-15-3-5-16(6-4-15)8-10-18-12-20(26-2)14-22(24)28-18/h3-14H,1-2H3/b9-7+,10-8+
InChIKeyQVNXHWCUVXBSNR-FIFLTTCUSA-N
XLogP3.95
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one with MolForge

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Related Compounds

4-methoxy-6-[(E)-2-(4-nitrophenyl)ethenyl]pyran-2-one
CID 158493032
4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one
CID 92528555
4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one
CID 10423415
2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 85196120
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
6-[8-(3-chlorothiophen-2-yl)octa-1,3,5,7-tetraenyl]-4-methoxypyran-2-one
CID 75301545
[2-oxo-6-[(E)-2-phenylethenyl]pyran-4-yl] butanoate
CID 5376076
4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one
CID 140504022
6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
CID 162787652
2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
CID 74927684
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135
7-[(E)-2-(4-methoxyphenyl)ethenyl]-4-propan-2-ylchromen-2-one
CID 178110195

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one (CID 57325500) is 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one is COc1cc(/C=C/c2ccc(/C=C/c3cc(OC)cc(=O)o3)cc2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one?
The InChIKey is QVNXHWCUVXBSNR-FIFLTTCUSA-N. The full InChI is InChI=1S/C22H18O6/c1-25-19-11-17(27-21(23)13-19)9-7-15-3-5-16(6-4-15)8-10-18-12-20(26-2)14-22(24)28-18/h3-14H,1-2H3/b9-7+,10-8+.
What are the key properties of 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one has a molecular weight of 378.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one is sourced from PubChem (CID 57325500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).