2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane

C17H16O7 — CID 67363741

IUPAC2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
SMILESCOC.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O6.C2H6O/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7;1-3-2/h1-6,16-19H;1-2H3
InChIKeyWTJCXYVJBVOCGX-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.55
Rot. Bonds1

About 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane

2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane (PubChem CID 67363741) has the molecular formula C17H16O7 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
PubChem CID67363741
Molecular FormulaC17H16O7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
SMILESCOC.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O6.C2H6O/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7;1-3-2/h1-6,16-19H;1-2H3
InChIKeyWTJCXYVJBVOCGX-UHFFFAOYSA-N
XLogP2.55
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.55
H-Bond Donors ≤ 54
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

5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
CID 44610309
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865
[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl] 2-methylpropanoate
CID 44610153
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one;5,7-dihydroxy-2-(3-hydroxy-4-methylphenyl)chromen-4-one;5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;methane
CID 162082533
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 169245769
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 11650051

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane (CID 67363741) is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane is COC.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane?
The InChIKey is WTJCXYVJBVOCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6.C2H6O/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7;1-3-2/h1-6,16-19H;1-2H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane?
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane has a molecular weight of 332.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane is sourced from PubChem (CID 67363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).