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

C17H14O7 — CID 69119541

IUPAC2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2oc(-c3cccc(O)c3O)c(O)c(=O)c2c1
InChIInChI=1S/C17H14O7/c1-22-8-6-10-14(20)15(21)17(24-16(10)12(7-8)23-2)9-4-3-5-11(18)13(9)19/h3-7,18-19,21H,1-2H3
InChIKeyAHZSYLPVDFOGDE-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.59
Rot. Bonds3

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

2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one (PubChem CID 69119541) has the molecular formula C17H14O7 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one
PubChem CID69119541
Molecular FormulaC17H14O7
Molecular Weight330.29 g/mol
Exact Mass330.07
IUPAC Name2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2oc(-c3cccc(O)c3O)c(O)c(=O)c2c1
InChIInChI=1S/C17H14O7/c1-22-8-6-10-14(20)15(21)17(24-16(10)12(7-8)23-2)9-4-3-5-11(18)13(9)19/h3-7,18-19,21H,1-2H3
InChIKeyAHZSYLPVDFOGDE-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

1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
CID 172651857
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
CID 118735528
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
CID 153409103
3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 155537028
2-(1,3-benzodioxol-5-yl)-3-hydroxy-8-methoxychromen-4-one
CID 18372889
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one?
The IUPAC name of 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one (CID 69119541) is 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one.
What is the SMILES notation for 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one?
The canonical SMILES for 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one is COc1cc(OC)c2oc(-c3cccc(O)c3O)c(O)c(=O)c2c1.
What is the InChIKey of 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one?
The InChIKey is AHZSYLPVDFOGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7/c1-22-8-6-10-14(20)15(21)17(24-16(10)12(7-8)23-2)9-4-3-5-11(18)13(9)19/h3-7,18-19,21H,1-2H3.
What are the key properties of 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one?
2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-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 2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one is sourced from PubChem (CID 69119541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).