6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde

C11H12O4 — CID 135381089

IUPAC6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
SMILESCCOc1cc2c(cc1C=O)OCCO2
InChIInChI=1S/C11H12O4/c1-2-13-9-6-11-10(5-8(9)7-12)14-3-4-15-11/h5-7H,2-4H2,1H3
InChIKeyIHIIQLPOSDCURV-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.67
Rot. Bonds3

About 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde

6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde (PubChem CID 135381089) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde.

Molecular Properties

Compound Name6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
PubChem CID135381089
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
SMILESCCOc1cc2c(cc1C=O)OCCO2
InChIInChI=1S/C11H12O4/c1-2-13-9-6-11-10(5-8(9)7-12)14-3-4-15-11/h5-7H,2-4H2,1H3
InChIKeyIHIIQLPOSDCURV-UHFFFAOYSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-nonoxy-1,3-benzodioxole-5-carbaldehyde
CID 63529679
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
methyl 2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetate
CID 55012112
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 896566
2-ethoxy-4-[[(2R,3S)-3-(3-ethoxy-4-formylphenoxy)-1,4-dioxan-2-yl]oxy]benzaldehyde
CID 7721773
6-buta-2,3-dienoxy-1,3-benzodioxole-5-carbaldehyde
CID 121001988
6-[2-(2-methylpropoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 106453045
6-(5-hydroxypentoxy)-1,3-benzodioxole-5-carbaldehyde
CID 62228686
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]-N-pentan-3-ylacetamide
CID 47984184

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde?
The IUPAC name of 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde (CID 135381089) is 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde.
What is the SMILES notation for 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde?
The canonical SMILES for 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde is CCOc1cc2c(cc1C=O)OCCO2.
What is the InChIKey of 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde?
The InChIKey is IHIIQLPOSDCURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-13-9-6-11-10(5-8(9)7-12)14-3-4-15-11/h5-7H,2-4H2,1H3.
What are the key properties of 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde?
6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde has a molecular weight of 208.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde is sourced from PubChem (CID 135381089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).