6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde

C16H12O6 — CID 14614193

IUPAC6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde
SMILESCOc1ccc(C=O)cc1Oc1cc2c(cc1C=O)OCO2
InChIInChI=1S/C16H12O6/c1-19-12-3-2-10(7-17)4-16(12)22-13-6-15-14(20-9-21-15)5-11(13)8-18/h2-8H,9H2,1H3
InChIKeyXYUKELGEXYOUPJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.84
Rot. Bonds5

About 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde

6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde (PubChem CID 14614193) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde.

Molecular Properties

Compound Name6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde
PubChem CID14614193
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde
SMILESCOc1ccc(C=O)cc1Oc1cc2c(cc1C=O)OCO2
InChIInChI=1S/C16H12O6/c1-19-12-3-2-10(7-17)4-16(12)22-13-6-15-14(20-9-21-15)5-11(13)8-18/h2-8H,9H2,1H3
InChIKeyXYUKELGEXYOUPJ-UHFFFAOYSA-N
XLogP2.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde?
The IUPAC name of 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde (CID 14614193) is 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde.
What is the SMILES notation for 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde?
The canonical SMILES for 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde is COc1ccc(C=O)cc1Oc1cc2c(cc1C=O)OCO2.
What is the InChIKey of 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde?
The InChIKey is XYUKELGEXYOUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-19-12-3-2-10(7-17)4-16(12)22-13-6-15-14(20-9-21-15)5-11(13)8-18/h2-8H,9H2,1H3.
What are the key properties of 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde?
6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde has a molecular weight of 300.27 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-formyl-2-methoxyphenoxy)-1,3-benzodioxole-5-carbaldehyde is sourced from PubChem (CID 14614193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).