3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one

C20H18O5 — CID 164624979

IUPAC3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one
SMILESCOc1ccc2occ(/C=C/c3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C20H18O5/c1-22-15-7-9-17-16(11-15)20(21)14(12-25-17)6-4-13-5-8-18(23-2)19(10-13)24-3/h4-12H,1-3H3/b6-4+
InChIKeyMTVUTCAEYXVAAF-GQCTYLIASA-N
MW338.36 g/mol
LogP3.99
Rot. Bonds5

About 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one

3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one (PubChem CID 164624979) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one.

Molecular Properties

Compound Name3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one
PubChem CID164624979
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one
SMILESCOc1ccc2occ(/C=C/c3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C20H18O5/c1-22-15-7-9-17-16(11-15)20(21)14(12-25-17)6-4-13-5-8-18(23-2)19(10-13)24-3/h4-12H,1-3H3/b6-4+
InChIKeyMTVUTCAEYXVAAF-GQCTYLIASA-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-(3,4-dimethoxyphenyl)ethenyl]-6-methoxy-3,1-benzoxazin-4-one
CID 54292298
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]urea
CID 6878010
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
CID 71657405
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enoate
CID 6953675
2-[4-[(E)-2-(6-methoxy-4-oxochromen-3-yl)ethenyl]quinazolin-2-yl]guanidine;hydrochloride
CID 167791048
5-[(6-methoxy-4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4746431
3,4,5-trimethoxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide;hydrate
CID 139086784
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-methoxybenzonitrile
CID 67803258
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-6-methylchromen-4-one
CID 2900899
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
3-benzoyl-6-methoxychromen-4-one
CID 747889

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one?
The IUPAC name of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one (CID 164624979) is 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one.
What is the SMILES notation for 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one?
The canonical SMILES for 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one is COc1ccc2occ(/C=C/c3ccc(OC)c(OC)c3)c(=O)c2c1.
What is the InChIKey of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one?
The InChIKey is MTVUTCAEYXVAAF-GQCTYLIASA-N. The full InChI is InChI=1S/C20H18O5/c1-22-15-7-9-17-16(11-15)20(21)14(12-25-17)6-4-13-5-8-18(23-2)19(10-13)24-3/h4-12H,1-3H3/b6-4+.
What are the key properties of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one?
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-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 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one is sourced from PubChem (CID 164624979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).