7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one

C20H18O4 — CID 52945027

IUPAC7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
SMILESCOc1ccc(/C=C/c2c(C)c3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C20H18O4/c1-13-17-11-9-16(23-3)12-19(17)24-20(21)18(13)10-6-14-4-7-15(22-2)8-5-14/h4-12H,1-3H3/b10-6+
InChIKeyUNEDYOYHFQMBTG-UXBLZVDNSA-N
MW322.36 g/mol
LogP4.29
Rot. Bonds4

About 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one

7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one (PubChem CID 52945027) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
PubChem CID52945027
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
SMILESCOc1ccc(/C=C/c2c(C)c3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C20H18O4/c1-13-17-11-9-16(23-3)12-19(17)24-20(21)18(13)10-6-14-4-7-15(22-2)8-5-14/h4-12H,1-3H3/b10-6+
InChIKeyUNEDYOYHFQMBTG-UXBLZVDNSA-N
XLogP4.29
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-7-methoxy-4-methylchromen-2-one
CID 72544099
7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one
CID 163502914
4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
CID 102021642
7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
CID 73437941
7-methoxy-4-methyl-3-nitrochromen-2-one
CID 118081099
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135
(E)-3-[4-[(E)-2-[4-[(E)-2-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]ethenyl]phenyl]ethenyl]phenyl]prop-2-enoic acid
CID 146187399
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
3-[(E)-2-(4-fluorophenyl)ethenyl]-7-methoxychromen-2-one
CID 102200353
8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
CID 14104558
2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 85196120
7-[(E)-2-(4-methoxyphenyl)ethenyl]-4-propan-2-ylchromen-2-one
CID 178110195

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one?
The IUPAC name of 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one (CID 52945027) is 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one.
What is the SMILES notation for 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one?
The canonical SMILES for 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one is COc1ccc(/C=C/c2c(C)c3ccc(OC)cc3oc2=O)cc1.
What is the InChIKey of 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one?
The InChIKey is UNEDYOYHFQMBTG-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H18O4/c1-13-17-11-9-16(23-3)12-19(17)24-20(21)18(13)10-6-14-4-7-15(22-2)8-5-14/h4-12H,1-3H3/b10-6+.
What are the key properties of 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one?
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one has a molecular weight of 322.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one is sourced from PubChem (CID 52945027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).