2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

C15H12O7 — CID 71307292

IUPAC2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
SMILESO=C1c2c(O)cc(O)cc2OC(c2c(O)cccc2O)C1O
InChIInChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H
InChIKeyNBQYBZYBTNQEQG-UHFFFAOYSA-N
MW304.25 g/mol
LogP1.19
Rot. Bonds1

About 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one (PubChem CID 71307292) has the molecular formula C15H12O7 and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
PubChem CID71307292
Molecular FormulaC15H12O7
Molecular Weight304.25 g/mol
Exact Mass304.06
IUPAC Name2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
SMILESO=C1c2c(O)cc(O)cc2OC(c2c(O)cccc2O)C1O
InChIInChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H
InChIKeyNBQYBZYBTNQEQG-UHFFFAOYSA-N
XLogP1.19
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 51.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-2-[3-[2,3-dihydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]-4,5-dihydroxyphenyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 162922180
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
2-[4,5-dihydroxy-2-(hydroxymethyl)phenyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 163067541
(2R,3R)-8-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 142844762
(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 101034223
4-hydroxy-3-[2-hydroxy-5-[(2S,3S)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]benzoic acid
CID 162983898
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-iodo-2,3-dihydrochromen-4-one
CID 91075614
2-[3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 122204658
(2S,3R)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162900254
(2R,3S)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 11369709
2-[(3,4-dihydroxyphenyl)methyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 67149819
(2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-2,3-dihydrochromen-5-olate
CID 25200369

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one (CID 71307292) is 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one is O=C1c2c(O)cc(O)cc2OC(c2c(O)cccc2O)C1O.
What is the InChIKey of 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one?
The InChIKey is NBQYBZYBTNQEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H.
What are the key properties of 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one?
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one has a molecular weight of 304.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 71307292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).