2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one

C21H22O7 — CID 97032110

IUPAC2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
SMILESCCOc1c(-c2ccc(OC)c(OC)c2)oc2cc(OC)cc(OC)c2c1=O
InChIInChI=1S/C21H22O7/c1-6-27-21-19(22)18-16(26-5)10-13(23-2)11-17(18)28-20(21)12-7-8-14(24-3)15(9-12)25-4/h7-11H,6H2,1-5H3
InChIKeyVJCROSPGEGNPOB-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.89
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one

2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one (PubChem CID 97032110) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
PubChem CID97032110
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
SMILESCCOc1c(-c2ccc(OC)c(OC)c2)oc2cc(OC)cc(OC)c2c1=O
InChIInChI=1S/C21H22O7/c1-6-27-21-19(22)18-16(26-5)10-13(23-2)11-17(18)28-20(21)12-7-8-14(24-3)15(9-12)25-4/h7-11H,6H2,1-5H3
InChIKeyVJCROSPGEGNPOB-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

2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
3-[2-(4-acetylphenoxy)ethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 15965500
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 14234930
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
CID 58133612
3-[3-(4-acetylphenoxy)propoxy]-2-(3,4-dimethoxyphenyl)-7-ethyl-5-methoxychromen-4-one
CID 68892528
5-[1-[4-[2-[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl]oxyethylsulfanyl]phenyl]ethenyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91428761
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
[4-[3,7-dimethoxy-4-oxo-5-(pyridine-3-carbonyloxy)chromen-2-yl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 20522563

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one (CID 97032110) is 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one is CCOc1c(-c2ccc(OC)c(OC)c2)oc2cc(OC)cc(OC)c2c1=O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one?
The InChIKey is VJCROSPGEGNPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-6-27-21-19(22)18-16(26-5)10-13(23-2)11-17(18)28-20(21)12-7-8-14(24-3)15(9-12)25-4/h7-11H,6H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-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 2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 97032110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).