2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one

C15H10O6 — CID 153409103

IUPAC2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
SMILESO=c1c(O)c(-c2cccc(O)c2O)oc2cc(O)ccc12
InChIInChI=1S/C15H10O6/c16-7-4-5-8-11(6-7)21-15(14(20)13(8)19)9-2-1-3-10(17)12(9)18/h1-6,16-18,20H
InChIKeyUCMIQMOEQFKLNY-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.28
Rot. Bonds1

About 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one

2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one (PubChem CID 153409103) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
PubChem CID153409103
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
SMILESO=c1c(O)c(-c2cccc(O)c2O)oc2cc(O)ccc12
InChIInChI=1S/C15H10O6/c16-7-4-5-8-11(6-7)21-15(14(20)13(8)19)9-2-1-3-10(17)12(9)18/h1-6,16-18,20H
InChIKeyUCMIQMOEQFKLNY-UHFFFAOYSA-N
XLogP2.28
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
CID 135027989
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
2-[2-[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4,5-trihydroxyphenyl]-3,7-dihydroxychromen-4-one
CID 163184579
2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one;(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one
CID 161181332
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
3-hydroxy-2-(9-oxofluoren-4-yl)chromen-4-one
CID 22239057
2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one
CID 69119541
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987
2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
CID 163087420
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one?
The IUPAC name of 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one (CID 153409103) is 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one.
What is the SMILES notation for 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one?
The canonical SMILES for 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one is O=c1c(O)c(-c2cccc(O)c2O)oc2cc(O)ccc12.
What is the InChIKey of 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one?
The InChIKey is UCMIQMOEQFKLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-7-4-5-8-11(6-7)21-15(14(20)13(8)19)9-2-1-3-10(17)12(9)18/h1-6,16-18,20H.
What are the key properties of 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one?
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one has a molecular weight of 286.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one is sourced from PubChem (CID 153409103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).