5,6-dihydroxy-7-methoxy-2-methylchromen-4-one

C11H10O5 — CID 52918156

IUPAC5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
SMILESCOc1cc2oc(C)cc(=O)c2c(O)c1O
InChIInChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3
InChIKeyPJUGYRBTUWDWFG-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.52
Rot. Bonds1

About 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one

5,6-dihydroxy-7-methoxy-2-methylchromen-4-one (PubChem CID 52918156) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one.

Molecular Properties

Compound Name5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
PubChem CID52918156
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
SMILESCOc1cc2oc(C)cc(=O)c2c(O)c1O
InChIInChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3
InChIKeyPJUGYRBTUWDWFG-UHFFFAOYSA-N
XLogP1.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 75361247
5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one
CID 139586252
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one
CID 53321196
4-[2-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)acetyl]oxy-3-methylbut-3-enoic acid
CID 162946886
5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
CID 42631475
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
(5,6-dimethoxy-2-methyl-4-oxobenzo[g]chromen-8-yl) hydrogen sulfate
CID 101293590
5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one
CID 130193601

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one?
The IUPAC name of 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one (CID 52918156) is 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one.
What is the SMILES notation for 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one?
The canonical SMILES for 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one is COc1cc2oc(C)cc(=O)c2c(O)c1O.
What is the InChIKey of 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one?
The InChIKey is PJUGYRBTUWDWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3.
What are the key properties of 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one?
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one has a molecular weight of 222.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one is sourced from PubChem (CID 52918156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).