7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one

C20H20O6 — CID 46840811

IUPAC7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
SMILESCCOc1ccc(-c2coc3cc(OCC)c(OC)c(O)c3c2=O)cc1
InChIInChI=1S/C20H20O6/c1-4-24-13-8-6-12(7-9-13)14-11-26-15-10-16(25-5-2)20(23-3)19(22)17(15)18(14)21/h6-11,22H,4-5H2,1-3H3
InChIKeyHJRYQCFFMCQKTC-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.97
Rot. Bonds6

About 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one

7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one (PubChem CID 46840811) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one.

Molecular Properties

Compound Name7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
PubChem CID46840811
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
SMILESCCOc1ccc(-c2coc3cc(OCC)c(OC)c(O)c3c2=O)cc1
InChIInChI=1S/C20H20O6/c1-4-24-13-8-6-12(7-9-13)14-11-26-15-10-16(25-5-2)20(23-3)19(22)17(15)18(14)21/h6-11,22H,4-5H2,1-3H3
InChIKeyHJRYQCFFMCQKTC-UHFFFAOYSA-N
XLogP3.97
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
5-hydroxy-6,7-dimethoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163004931
5-hydroxy-6,7-dimethoxy-3-[4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163004933
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163053098
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
[4-(5,7-diacetyloxy-6-methoxy-4-oxochromen-3-yl)phenyl] acetate
CID 162915533
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CID 154828490
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
CID 70183681

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one?
The IUPAC name of 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one (CID 46840811) is 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one.
What is the SMILES notation for 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one?
The canonical SMILES for 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one is CCOc1ccc(-c2coc3cc(OCC)c(OC)c(O)c3c2=O)cc1.
What is the InChIKey of 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one?
The InChIKey is HJRYQCFFMCQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-4-24-13-8-6-12(7-9-13)14-11-26-15-10-16(25-5-2)20(23-3)19(22)17(15)18(14)21/h6-11,22H,4-5H2,1-3H3.
What are the key properties of 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one?
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one has a molecular weight of 356.37 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one is sourced from PubChem (CID 46840811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).