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

C16H12O5 — CID 5280373

IUPAC5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1
InChIInChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChIKeyWUADCCWRTIWANL-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

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

5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 5280373) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID5280373
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1
InChIInChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChIKeyWUADCCWRTIWANL-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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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one (CID 5280373) is 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1.
What is the InChIKey of 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is WUADCCWRTIWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3.
What are the key properties of 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one?
5,7-dihydroxy-3-(4-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 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5280373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).