2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one

C18H16O8 — CID 132989525

IUPAC2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one
SMILESCOc1c(Oc2ccc(O)c(O)c2)oc2c(C)c(O)c(C)c(O)c2c1=O
InChIInChI=1S/C18H16O8/c1-7-13(21)8(2)16-12(14(7)22)15(23)17(24-3)18(26-16)25-9-4-5-10(19)11(20)6-9/h4-6,19-22H,1-3H3
InChIKeyQFSVMALFWLWANL-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.03
Rot. Bonds3

About 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one

2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one (PubChem CID 132989525) has the molecular formula C18H16O8 and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one
PubChem CID132989525
Molecular FormulaC18H16O8
Molecular Weight360.32 g/mol
Exact Mass360.08
IUPAC Name2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one
SMILESCOc1c(Oc2ccc(O)c(O)c2)oc2c(C)c(O)c(C)c(O)c2c1=O
InChIInChI=1S/C18H16O8/c1-7-13(21)8(2)16-12(14(7)22)15(23)17(24-3)18(26-16)25-9-4-5-10(19)11(20)6-9/h4-6,19-22H,1-3H3
InChIKeyQFSVMALFWLWANL-UHFFFAOYSA-N
XLogP3.03
TPSA129.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one
CID 162872700
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
CID 15137940
5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
CID 5319463
7-hydroxy-2-(4-hydroxyphenoxy)-3,5-dimethoxychromen-4-one
CID 163010964
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-dimethylchromen-4-one
CID 10065066
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one
CID 162971212
1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
CID 86028059
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430
3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
CID 140843244
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CID 5487631

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one (CID 132989525) is 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one is COc1c(Oc2ccc(O)c(O)c2)oc2c(C)c(O)c(C)c(O)c2c1=O.
What is the InChIKey of 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one?
The InChIKey is QFSVMALFWLWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O8/c1-7-13(21)8(2)16-12(14(7)22)15(23)17(24-3)18(26-16)25-9-4-5-10(19)11(20)6-9/h4-6,19-22H,1-3H3.
What are the key properties of 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one?
2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one has a molecular weight of 360.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one is sourced from PubChem (CID 132989525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).