5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one

C21H24O5 — CID 22954416

IUPAC5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
SMILESCOC1C(=O)c2c(O)cc(O)cc2OC1c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C21H24O5/c1-9-10(2)12(4)17(13(5)11(9)3)20-21(25-6)19(24)18-15(23)7-14(22)8-16(18)26-20/h7-8,20-23H,1-6H3
InChIKeyNKAKEEQVCMVJBW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.97
Rot. Bonds2

About 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one

5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 22954416) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
PubChem CID22954416
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
SMILESCOC1C(=O)c2c(O)cc(O)cc2OC1c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C21H24O5/c1-9-10(2)12(4)17(13(5)11(9)3)20-21(25-6)19(24)18-15(23)7-14(22)8-16(18)26-20/h7-8,20-23H,1-6H3
InChIKeyNKAKEEQVCMVJBW-UHFFFAOYSA-N
XLogP3.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14794877
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14861264
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 71307292
[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 162987253
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 101034223
3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169180209
(2S,3R)-3-[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 124870899
(2R,3R)-3-(2-ethylbutoxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
CID 158720209
ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
CID 169180213
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-iodo-2,3-dihydrochromen-4-one
CID 91075614
[(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] hexanoate
CID 162913708

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one (CID 22954416) is 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one is COC1C(=O)c2c(O)cc(O)cc2OC1c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is NKAKEEQVCMVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-9-10(2)12(4)17(13(5)11(9)3)20-21(25-6)19(24)18-15(23)7-14(22)8-16(18)26-20/h7-8,20-23H,1-6H3.
What are the key properties of 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 356.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 22954416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).