7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one

C18H16O8 — CID 91587475

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one
SMILESCOOc1c(OC)c(O)cc2oc(OC)c(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C18H16O8/c1-22-16-11(20)8-12-14(17(16)26-24-3)15(21)13(18(23-2)25-12)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
InChIKeyVOYKBWNQWZBKJH-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.83
Rot. Bonds5

About 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one

7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one (PubChem CID 91587475) has the molecular formula C18H16O8 and a molecular weight of 360.32 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one
PubChem CID91587475
Molecular FormulaC18H16O8
Molecular Weight360.32 g/mol
Exact Mass360.08
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one
SMILESCOOc1c(OC)c(O)cc2oc(OC)c(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C18H16O8/c1-22-16-11(20)8-12-14(17(16)26-24-3)15(21)13(18(23-2)25-12)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
InChIKeyVOYKBWNQWZBKJH-UHFFFAOYSA-N
XLogP2.83
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
methyl 5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15598743
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
7-hydroxy-2-(4-hydroxyphenoxy)-3,5-dimethoxychromen-4-one
CID 163010964
3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one
CID 162971212
5,7-dihydroxy-2-(4-hydroxyphenyl)selanyl-6-methoxychromen-4-one
CID 172843365
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
CID 90933686
7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
CID 5316815
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one
CID 123677692
3,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxychromen-4-one
CID 10573935
3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
CID 89116863
3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one
CID 163003822

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one (CID 91587475) is 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one is COOc1c(OC)c(O)cc2oc(OC)c(-c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one?
The InChIKey is VOYKBWNQWZBKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O8/c1-22-16-11(20)8-12-14(17(16)26-24-3)15(21)13(18(23-2)25-12)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one?
7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one has a molecular weight of 360.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one is sourced from PubChem (CID 91587475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).