5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

C16H12O5 — CID 5281617

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKeyJPMYFOBNRRGFNO-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one (PubChem CID 5281617) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
PubChem CID5281617
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKeyJPMYFOBNRRGFNO-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5-hydroxy-7-methoxychromen-4-one
CID 169245770
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
CID 5320646
2-(3-benzyl-4,5-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 127045296
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one (CID 5281617) is 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one is COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The InChIKey is JPMYFOBNRRGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one has a molecular weight of 284.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 5281617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).