3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one

C21H20O6 — CID 170983738

IUPAC3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
SMILESCOc1cccc(-c2coc3cc(O)c4c(c3c2=O)OC(C)(C)C(O)C4)c1
InChIInChI=1S/C21H20O6/c1-21(2)17(23)8-13-15(22)9-16-18(20(13)27-21)19(24)14(10-26-16)11-5-4-6-12(7-11)25-3/h4-7,9-10,17,22-23H,8H2,1-3H3
InChIKeyGXWBZWMSEKOGEY-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.25
Rot. Bonds2

About 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one

3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one (PubChem CID 170983738) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one.

Molecular Properties

Compound Name3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
PubChem CID170983738
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
SMILESCOc1cccc(-c2coc3cc(O)c4c(c3c2=O)OC(C)(C)C(O)C4)c1
InChIInChI=1S/C21H20O6/c1-21(2)17(23)8-13-15(22)9-16-18(20(13)27-21)19(24)14(10-26-16)11-5-4-6-12(7-11)25-3/h4-7,9-10,17,22-23H,8H2,1-3H3
InChIKeyGXWBZWMSEKOGEY-UHFFFAOYSA-N
XLogP3.25
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 170983728
(3S)-3,5-dihydroxy-9-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 125115313
5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one
CID 163032460
3-[(3S)-3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5-hydroxy-7-methoxychromen-4-one
CID 163067079
3-[(3R)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
CID 162959961
7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 632833
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
CID 70183681
(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 162897017
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
CID 15228899
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628
3,5,9-trihydroxy-2,2-dimethyl-11,11-bis(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthene-10,12-dione
CID 135955994
7-hydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
CID 5320772

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The IUPAC name of 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one (CID 170983738) is 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one.
What is the SMILES notation for 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The canonical SMILES for 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one is COc1cccc(-c2coc3cc(O)c4c(c3c2=O)OC(C)(C)C(O)C4)c1.
What is the InChIKey of 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The InChIKey is GXWBZWMSEKOGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O6/c1-21(2)17(23)8-13-15(22)9-16-18(20(13)27-21)19(24)14(10-26-16)11-5-4-6-12(7-11)25-3/h4-7,9-10,17,22-23H,8H2,1-3H3.
What are the key properties of 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one has a molecular weight of 368.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one is sourced from PubChem (CID 170983738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).