3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine

C17H16O4 — CID 175441082

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine
SMILESc1ccc2c(c1)OCC(Cc1ccc3c(c1)OCCO3)O2
InChIInChI=1S/C17H16O4/c1-2-4-16-14(3-1)20-11-13(21-16)9-12-5-6-15-17(10-12)19-8-7-18-15/h1-6,10,13H,7-9,11H2
InChIKeyDFBRDDRUBGKFKV-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.84
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine

3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 175441082) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID175441082
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine
SMILESc1ccc2c(c1)OCC(Cc1ccc3c(c1)OCCO3)O2
InChIInChI=1S/C17H16O4/c1-2-4-16-14(3-1)20-11-13(21-16)9-12-5-6-15-17(10-12)19-8-7-18-15/h1-6,10,13H,7-9,11H2
InChIKeyDFBRDDRUBGKFKV-UHFFFAOYSA-N
XLogP2.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)propan-1-amine;hydrochloride
CID 139774391
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 63378858
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-methylpropan-1-amine
CID 59144891
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
6-bromo-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 94870936
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiophene-2-carboxamide
CID 38212993
3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine
CID 82383801
4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]benzene-1,2-diol
CID 43182111

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine (CID 175441082) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine is c1ccc2c(c1)OCC(Cc1ccc3c(c1)OCCO3)O2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is DFBRDDRUBGKFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-4-16-14(3-1)20-11-13(21-16)9-12-5-6-15-17(10-12)19-8-7-18-15/h1-6,10,13H,7-9,11H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine?
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 284.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 175441082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).