7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C21H22O7 — CID 72703441

IUPAC7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCCOc1cc(OC)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H22O7/c1-6-27-13-9-16(23-2)20-14(22)11-15(28-17(20)10-13)12-7-18(24-3)21(26-5)19(8-12)25-4/h7-11H,6H2,1-5H3
InChIKeyNQADNYZYAQRDIY-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.89
Rot. Bonds7

About 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 72703441) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID72703441
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCCOc1cc(OC)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H22O7/c1-6-27-13-9-16(23-2)20-14(22)11-15(28-17(20)10-13)12-7-18(24-3)21(26-5)19(8-12)25-4/h7-11H,6H2,1-5H3
InChIKeyNQADNYZYAQRDIY-UHFFFAOYSA-N
XLogP3.89
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
5-[2-hydroxy-3-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]oxypropoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 13302213
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 71739541
2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxochromen-7-yl]oxyacetonitrile
CID 59331779
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
CID 159111191
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
2-[5-methoxy-2-(3-methoxy-4-methylphenyl)-4-oxochromen-7-yl]oxyacetonitrile
CID 59331782
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 72703441) is 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is CCOc1cc(OC)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is NQADNYZYAQRDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-6-27-13-9-16(23-2)20-14(22)11-15(28-17(20)10-13)12-7-18(24-3)21(26-5)19(8-12)25-4/h7-11H,6H2,1-5H3.
What are the key properties of 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 386.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 72703441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).