3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one

C17H14O7 — CID 10853861

IUPAC3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one
SMILESCOc1c(O)cc(OC)c2c(=O)c(-c3ccc(O)c(O)c3)coc12
InChIInChI=1S/C17H14O7/c1-22-13-6-12(20)16(23-2)17-14(13)15(21)9(7-24-17)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
InChIKeyWMGWGFMAZARRFP-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.59
Rot. Bonds3

About 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one

3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one (PubChem CID 10853861) has the molecular formula C17H14O7 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one
PubChem CID10853861
Molecular FormulaC17H14O7
Molecular Weight330.29 g/mol
Exact Mass330.07
IUPAC Name3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one
SMILESCOc1c(O)cc(OC)c2c(=O)c(-c3ccc(O)c(O)c3)coc12
InChIInChI=1S/C17H14O7/c1-22-13-6-12(20)16(23-2)17-14(13)15(21)9(7-24-17)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
InChIKeyWMGWGFMAZARRFP-UHFFFAOYSA-N
XLogP2.59
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

7-hydroxy-5,8-dimethoxy-3-phenylchromen-4-one
CID 71418255
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
3-(4-aminophenyl)-5,7-dihydroxy-8-methoxychromen-4-one
CID 70652570
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methylchromen-4-one
CID 143775868
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162860048
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 15719494
3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 91973754

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one (CID 10853861) is 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one is COc1c(O)cc(OC)c2c(=O)c(-c3ccc(O)c(O)c3)coc12.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one?
The InChIKey is WMGWGFMAZARRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7/c1-22-13-6-12(20)16(23-2)17-14(13)15(21)9(7-24-17)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3.
What are the key properties of 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one?
3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one has a molecular weight of 330.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-7-hydroxy-5,8-dimethoxychromen-4-one is sourced from PubChem (CID 10853861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).