3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one

C16H12O7 — CID 175840956

IUPAC3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2O)c(CO)oc2cc(O)cc(O)c12
InChIInChI=1S/C16H12O7/c17-6-13-14(9-2-1-7(18)3-10(9)20)16(22)15-11(21)4-8(19)5-12(15)23-13/h1-5,17-21H,6H2
InChIKeyOGDJIXHLAIADMY-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.77
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one

3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one (PubChem CID 175840956) has the molecular formula C16H12O7 and a molecular weight of 316.26 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one
PubChem CID175840956
Molecular FormulaC16H12O7
Molecular Weight316.26 g/mol
Exact Mass316.06
IUPAC Name3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2O)c(CO)oc2cc(O)cc(O)c12
InChIInChI=1S/C16H12O7/c17-6-13-14(9-2-1-7(18)3-10(9)20)16(22)15-11(21)4-8(19)5-12(15)23-13/h1-5,17-21H,6H2
InChIKeyOGDJIXHLAIADMY-UHFFFAOYSA-N
XLogP1.77
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

cyclohexane-1,2,3,4,5,6-hexol;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 70292403
5,7-dihydroxy-3-(4-hydroxyphenyl)-2-nitrochromen-4-one
CID 121230902
[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite
CID 24840571
methyl 5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15598743
1,3-dihydroxyxanthen-9-one
CID 5488193
CID 66722646
CID 66722646
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
CID 162859073
3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
CID 10315987
1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
CID 10265646

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one (CID 175840956) is 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one is O=c1c(-c2ccc(O)cc2O)c(CO)oc2cc(O)cc(O)c12.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one?
The InChIKey is OGDJIXHLAIADMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O7/c17-6-13-14(9-2-1-7(18)3-10(9)20)16(22)15-11(21)4-8(19)5-12(15)23-13/h1-5,17-21H,6H2.
What are the key properties of 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one?
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one has a molecular weight of 316.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one is sourced from PubChem (CID 175840956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).