2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one

C17H12O6 — CID 25267158

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(O)cc(O)c12
InChIInChI=1S/C17H12O6/c18-10-6-11(19)17-12(20)8-14(23-16(17)7-10)9-1-2-13-15(5-9)22-4-3-21-13/h1-2,5-8,18-19H,3-4H2
InChIKeyYXEDWXKXAROFJA-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.64
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one (PubChem CID 25267158) has the molecular formula C17H12O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
PubChem CID25267158
Molecular FormulaC17H12O6
Molecular Weight312.28 g/mol
Exact Mass312.06
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(O)cc(O)c12
InChIInChI=1S/C17H12O6/c18-10-6-11(19)17-12(20)8-14(23-16(17)7-10)9-1-2-13-15(5-9)22-4-3-21-13/h1-2,5-8,18-19H,3-4H2
InChIKeyYXEDWXKXAROFJA-UHFFFAOYSA-N
XLogP2.64
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 169245769
7-[2-(tert-butylamino)ethoxy]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxychromen-4-one
CID 25266796
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 125350333
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
6-nitrooxyhexyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
CID 71723599
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5,7-dihydroxy-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
CID 172653209
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one (CID 25267158) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one is O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one?
The InChIKey is YXEDWXKXAROFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O6/c18-10-6-11(19)17-12(20)8-14(23-16(17)7-10)9-1-2-13-15(5-9)22-4-3-21-13/h1-2,5-8,18-19H,3-4H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one has a molecular weight of 312.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 25267158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).