5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

C15H10O5 — CID 175755297

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)[14cH]oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/i7+2
InChIKeyTZBJGXHYKVUXJN-WGGUOBTBSA-N
MW272.23 g/mol
LogP2.58
Rot. Bonds1

About 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 175755297) has the molecular formula C15H10O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID175755297
Molecular FormulaC15H10O5
Molecular Weight272.23 g/mol
Exact Mass272.06
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)[14cH]oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/i7+2
InChIKeyTZBJGXHYKVUXJN-WGGUOBTBSA-N
XLogP2.58
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15598743
5,7-dihydroxy-3-(4-hydroxyphenyl)-2-nitrochromen-4-one
CID 121230902
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 139505378
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 139505486
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
CID 139061674
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one (CID 175755297) is 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one is O=c1c(-c2ccc(O)cc2)[14cH]oc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is TZBJGXHYKVUXJN-WGGUOBTBSA-N. The full InChI is InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/i7+2.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 272.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 175755297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).