5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C16H12O5 — CID 100995351

IUPAC5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(O)cccc3o2)ccc1O
InChIInChI=1S/C16H12O5/c1-20-15-7-9(5-6-10(15)17)14-8-12(19)16-11(18)3-2-4-13(16)21-14/h2-8,17-18H,1H3
InChIKeyWKIYRHJDDNLEID-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (PubChem CID 100995351) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
PubChem CID100995351
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(O)cccc3o2)ccc1O
InChIInChI=1S/C16H12O5/c1-20-15-7-9(5-6-10(15)17)14-8-12(19)16-11(18)3-2-4-13(16)21-14/h2-8,17-18H,1H3
InChIKeyWKIYRHJDDNLEID-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

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865
methyl 4-(5-hydroxy-4-oxochromen-2-yl)benzoate
CID 73350464
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
CID 172853606
CID 172853606
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
CID 10366269

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (CID 100995351) is 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is COc1cc(-c2cc(=O)c3c(O)cccc3o2)ccc1O.
What is the InChIKey of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The InChIKey is WKIYRHJDDNLEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-15-7-9(5-6-10(15)17)14-8-12(19)16-11(18)3-2-4-13(16)21-14/h2-8,17-18H,1H3.
What are the key properties of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-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-hydroxy-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 100995351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).