6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine

C12H16O4 — CID 130420635

IUPAC6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
SMILESCCc1cc(OC)c2c(c1OC)OCCO2
InChIInChI=1S/C12H16O4/c1-4-8-7-9(13-2)11-12(10(8)14-3)16-6-5-15-11/h7H,4-6H2,1-3H3
InChIKeyZOBDFSDMBKIBFE-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.04
Rot. Bonds3

About 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine

6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine (PubChem CID 130420635) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
PubChem CID130420635
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
SMILESCCc1cc(OC)c2c(c1OC)OCCO2
InChIInChI=1S/C12H16O4/c1-4-8-7-9(13-2)11-12(10(8)14-3)16-6-5-15-11/h7H,4-6H2,1-3H3
InChIKeyZOBDFSDMBKIBFE-UHFFFAOYSA-N
XLogP2.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 122413489
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
1,4-diethyl-2-methoxynaphthalene
CID 135177818
3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene
CID 11994060
(6-acetyl-5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl) acetate
CID 13337441
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxopropanenitrile
CID 91973386
4-amino-1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)butan-2-ol
CID 51138401
1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione
CID 90363491
2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile
CID 10680376
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine (CID 130420635) is 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine is CCc1cc(OC)c2c(c1OC)OCCO2.
What is the InChIKey of 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine?
The InChIKey is ZOBDFSDMBKIBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-8-7-9(13-2)11-12(10(8)14-3)16-6-5-15-11/h7H,4-6H2,1-3H3.
What are the key properties of 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine?
6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine has a molecular weight of 224.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 130420635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).