2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde

C11H12O4 — CID 83883626

IUPAC2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde
SMILESCOc1c(CC=O)ccc2c1COCO2
InChIInChI=1S/C11H12O4/c1-13-11-8(4-5-12)2-3-10-9(11)6-14-7-15-10/h2-3,5H,4,6-7H2,1H3
InChIKeyRYVYOFBSEDJTKV-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.30
Rot. Bonds3

About 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde

2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde (PubChem CID 83883626) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde
PubChem CID83883626
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde
SMILESCOc1c(CC=O)ccc2c1COCO2
InChIInChI=1S/C11H12O4/c1-13-11-8(4-5-12)2-3-10-9(11)6-14-7-15-10/h2-3,5H,4,6-7H2,1H3
InChIKeyRYVYOFBSEDJTKV-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
CID 117446964
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 84700627
2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
CID 83874823
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117321952
CID 123278933
CID 123278933
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117383598
2-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 117348748
3-amino-2-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 117385448
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]acetaldehyde
CID 12701133
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
1-(5-methoxy-4H-1,3-benzodioxin-8-yl)propan-2-one
CID 83890478
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde?
The IUPAC name of 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde (CID 83883626) is 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde?
The canonical SMILES for 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde is COc1c(CC=O)ccc2c1COCO2.
What is the InChIKey of 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde?
The InChIKey is RYVYOFBSEDJTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-13-11-8(4-5-12)2-3-10-9(11)6-14-7-15-10/h2-3,5H,4,6-7H2,1H3.
What are the key properties of 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde?
2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde has a molecular weight of 208.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde is sourced from PubChem (CID 83883626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).