2-(4H-1,3-benzodioxin-8-yl)acetaldehyde

C10H10O3 — CID 83874823

IUPAC2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
SMILESO=CCc1cccc2c1OCOC2
InChIInChI=1S/C10H10O3/c11-5-4-8-2-1-3-9-6-12-7-13-10(8)9/h1-3,5H,4,6-7H2
InChIKeyXDYWVSJFAXWYAO-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.29
Rot. Bonds2

About 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde

2-(4H-1,3-benzodioxin-8-yl)acetaldehyde (PubChem CID 83874823) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
PubChem CID83874823
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
SMILESO=CCc1cccc2c1OCOC2
InChIInChI=1S/C10H10O3/c11-5-4-8-2-1-3-9-6-12-7-13-10(8)9/h1-3,5H,4,6-7H2
InChIKeyXDYWVSJFAXWYAO-UHFFFAOYSA-N
XLogP1.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4H-1,3-benzodioxin-8-yl)propanal
CID 117282869
2-(1,3-benzodioxol-4-yl)acetaldehyde
CID 23424128
2-(4H-1,3-benzodioxin-8-yl)ethanamine
CID 82409644
1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
CID 117294676
3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine
CID 83883224
8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
CID 143586852
2-(3,5-dihydro-2H-1,4-benzodioxepin-9-yl)acetic acid
CID 83834040
2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde
CID 83883626
2-[3-oxo-4-(3-oxobutan-2-yl)-1,4-benzoxazin-8-yl]acetaldehyde
CID 46899817
8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine
CID 29062536
8-[(2,6-dichlorophenoxy)methyl]-4H-1,3-benzodioxin-6-amine
CID 60801080
2-(2,3-difluorophenyl)acetaldehyde
CID 22667341

Frequently Asked Questions

What is the IUPAC name of 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde?
The IUPAC name of 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde (CID 83874823) is 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde.
What is the SMILES notation for 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde?
The canonical SMILES for 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde is O=CCc1cccc2c1OCOC2.
What is the InChIKey of 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde?
The InChIKey is XDYWVSJFAXWYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-5-4-8-2-1-3-9-6-12-7-13-10(8)9/h1-3,5H,4,6-7H2.
What are the key properties of 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde?
2-(4H-1,3-benzodioxin-8-yl)acetaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-1,3-benzodioxin-8-yl)acetaldehyde is sourced from PubChem (CID 83874823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).