3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one

C17H14O8 — CID 162971212

IUPAC3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one
SMILESCOc1cc2c(=O)c(-c3ccc(O)c(O)c3)c(OC)oc2c(O)c1O
InChIInChI=1S/C17H14O8/c1-23-11-6-8-13(20)12(7-3-4-9(18)10(19)5-7)17(24-2)25-16(8)15(22)14(11)21/h3-6,18-19,21-22H,1-2H3
InChIKeyFBAZEVPUSBTMRN-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.30
Rot. Bonds3

About 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one

3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one (PubChem CID 162971212) has the molecular formula C17H14O8 and a molecular weight of 346.29 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one
PubChem CID162971212
Molecular FormulaC17H14O8
Molecular Weight346.29 g/mol
Exact Mass346.07
IUPAC Name3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one
SMILESCOc1cc2c(=O)c(-c3ccc(O)c(O)c3)c(OC)oc2c(O)c1O
InChIInChI=1S/C17H14O8/c1-23-11-6-8-13(20)12(7-3-4-9(18)10(19)5-7)17(24-2)25-16(8)15(22)14(11)21/h3-6,18-19,21-22H,1-2H3
InChIKeyFBAZEVPUSBTMRN-UHFFFAOYSA-N
XLogP2.30
TPSA129.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.30
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

3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one
CID 163003822
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 155537028
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
2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one
CID 132989525
7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one
CID 91587475
3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one
CID 10853861
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
CID 15137940
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
CID 90933686
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
CID 20514160

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one (CID 162971212) is 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one is COc1cc2c(=O)c(-c3ccc(O)c(O)c3)c(OC)oc2c(O)c1O.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one?
The InChIKey is FBAZEVPUSBTMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O8/c1-23-11-6-8-13(20)12(7-3-4-9(18)10(19)5-7)17(24-2)25-16(8)15(22)14(11)21/h3-6,18-19,21-22H,1-2H3.
What are the key properties of 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one?
3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one has a molecular weight of 346.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one is sourced from PubChem (CID 162971212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).