5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine

C16H14O4 — CID 68501402

IUPAC5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
SMILESc1cc2c(c(-c3cccc4c3OCCO4)c1)OCCO2
InChIInChI=1S/C16H14O4/c1-3-11(15-13(5-1)17-7-9-19-15)12-4-2-6-14-16(12)20-10-8-18-14/h1-6H,7-10H2
InChIKeyBWRZOENAEBNJRM-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.90
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine

5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 68501402) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
PubChem CID68501402
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
SMILESc1cc2c(c(-c3cccc4c3OCCO4)c1)OCCO2
InChIInChI=1S/C16H14O4/c1-3-11(15-13(5-1)17-7-9-19-15)12-4-2-6-14-16(12)20-10-8-18-14/h1-6H,7-10H2
InChIKeyBWRZOENAEBNJRM-UHFFFAOYSA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 143319884
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol
CID 22173803
3-(2,3-dihydro-1,4-benzodioxin-5-yl)benzaldehyde
CID 151992217
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2,3-dihydro-1,4-benzodioxin-5-amine;ethane
CID 170590929
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596389
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117367294
8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171676127
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660825

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine (CID 68501402) is 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine is c1cc2c(c(-c3cccc4c3OCCO4)c1)OCCO2.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is BWRZOENAEBNJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-3-11(15-13(5-1)17-7-9-19-15)12-4-2-6-14-16(12)20-10-8-18-14/h1-6H,7-10H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine?
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 270.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 68501402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).