2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one

C15H10O8 — CID 90775853

IUPAC2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)cc2O)oc2c(O)c(O)cc(O)c12
InChIInChI=1S/C15H10O8/c16-5-1-2-6(7(17)3-5)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
InChIKeyATHGJAXYBAJQBI-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.69
Rot. Bonds1

About 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one

2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one (PubChem CID 90775853) has the molecular formula C15H10O8 and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
PubChem CID90775853
Molecular FormulaC15H10O8
Molecular Weight318.24 g/mol
Exact Mass318.04
IUPAC Name2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)cc2O)oc2c(O)c(O)cc(O)c12
InChIInChI=1S/C15H10O8/c16-5-1-2-6(7(17)3-5)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
InChIKeyATHGJAXYBAJQBI-UHFFFAOYSA-N
XLogP1.69
TPSA151.59 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.24
LogP ≤ 51.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
CID 5280647
cyclohexane-1,2,3,4,5,6-hexol;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 70292403
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one
CID 11645805
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
8-bromo-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 56617277
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-3-enyl)chromen-4-one
CID 175833714
2,4-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzenesulfonic acid
CID 12978681
3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 57368437

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one (CID 90775853) is 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one is O=c1c(O)c(-c2ccc(O)cc2O)oc2c(O)c(O)cc(O)c12.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one?
The InChIKey is ATHGJAXYBAJQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O8/c16-5-1-2-6(7(17)3-5)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H.
What are the key properties of 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one?
2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one has a molecular weight of 318.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one is sourced from PubChem (CID 90775853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).