2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde

C10H9ClO3 — CID 87256824

IUPAC2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
SMILESO=CC(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H9ClO3/c11-8(6-12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5-6,8H,3-4H2
InChIKeyOFGQPRLIYGTBKF-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.94
Rot. Bonds2

About 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde

2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde (PubChem CID 87256824) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
PubChem CID87256824
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
SMILESO=CC(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H9ClO3/c11-8(6-12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5-6,8H,3-4H2
InChIKeyOFGQPRLIYGTBKF-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile
CID 43802548
2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 82079204
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanal
CID 83841501
6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
CID 61083741
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61086135
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanal
CID 82083070
2-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanedioic acid
CID 150604895
2-(1,3-benzodioxol-5-yl)-2-bromoacetaldehyde
CID 174358581
2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetaldehyde
CID 82082379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde?
The IUPAC name of 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde (CID 87256824) is 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde.
What is the SMILES notation for 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde?
The canonical SMILES for 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde is O=CC(Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde?
The InChIKey is OFGQPRLIYGTBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8(6-12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5-6,8H,3-4H2.
What are the key properties of 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde?
2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde has a molecular weight of 212.63 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde is sourced from PubChem (CID 87256824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).