5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

C16H12O6 — CID 5281612

💊View drug profile → diosmetin
IUPAC5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
InChIInChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
InChIKeyMBNGWHIJMBWFHU-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds2

About 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (PubChem CID 5281612) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
PubChem CID5281612
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
InChIInChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
InChIKeyMBNGWHIJMBWFHU-UHFFFAOYSA-N
XLogP2.59
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Quercetin
CID 5280343
Genistein
CID 5280961
Tangeretin
CID 68077
Taxifolin
CID 439533
Rutin
CID 5280805
Myricetin
CID 5281672
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
CID 5280443
Isoquercetin
CID 5280804
Hesperetin
CID 72281
(+)-Dihydromyricetin
CID 161557

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (CID 5281612) is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O.
What is the InChIKey of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The InChIKey is MBNGWHIJMBWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3.
What are the key properties of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one has a molecular weight of 300.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5281612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).