5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one

C20H18O5 — CID 74927743

IUPAC5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
SMILESCOc1ccc(C=Cc2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
InChIInChI=1S/C20H18O5/c1-22-14-7-4-13(5-8-14)6-9-15-10-17(21)20-18(24-3)11-16(23-2)12-19(20)25-15/h4-12H,1-3H3
InChIKeyJQKAWFZCSQKWJB-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.99
Rot. Bonds5

About 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one

5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one (PubChem CID 74927743) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
PubChem CID74927743
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
SMILESCOc1ccc(C=Cc2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
InChIInChI=1S/C20H18O5/c1-22-14-7-4-13(5-8-14)6-9-15-10-17(21)20-18(24-3)11-16(23-2)12-19(20)25-15/h4-12H,1-3H3
InChIKeyJQKAWFZCSQKWJB-UHFFFAOYSA-N
XLogP3.99
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
CID 74927684
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
CID 57325500
2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 85196120
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one
CID 54261202
6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
CID 162787652
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
5,7-dimethoxy-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]chromene-6-carboxylic acid
CID 57101478
5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
CID 22906454

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one (CID 74927743) is 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one is COc1ccc(C=Cc2cc(=O)c3c(OC)cc(OC)cc3o2)cc1.
What is the InChIKey of 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The InChIKey is JQKAWFZCSQKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-22-14-7-4-13(5-8-14)6-9-15-10-17(21)20-18(24-3)11-16(23-2)12-19(20)25-15/h4-12H,1-3H3.
What are the key properties of 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one?
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one has a molecular weight of 338.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one is sourced from PubChem (CID 74927743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).