3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde

C11H8Cl2O4 — CID 43516007

IUPAC3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OC1CCOC1=O
InChIInChI=1S/C11H8Cl2O4/c12-7-3-6(5-14)10(8(13)4-7)17-9-1-2-16-11(9)15/h3-5,9H,1-2H2
InChIKeyXEHYUUKPANMHMR-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.50
Rot. Bonds3

About 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde

3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde (PubChem CID 43516007) has the molecular formula C11H8Cl2O4 and a molecular weight of 275.09 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde
PubChem CID43516007
Molecular FormulaC11H8Cl2O4
Molecular Weight275.09 g/mol
Exact Mass273.98
IUPAC Name3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OC1CCOC1=O
InChIInChI=1S/C11H8Cl2O4/c12-7-3-6(5-14)10(8(13)4-7)17-9-1-2-16-11(9)15/h3-5,9H,1-2H2
InChIKeyXEHYUUKPANMHMR-UHFFFAOYSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
The IUPAC name of 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde (CID 43516007) is 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
The canonical SMILES for 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde is O=Cc1cc(Cl)cc(Cl)c1OC1CCOC1=O.
What is the InChIKey of 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
The InChIKey is XEHYUUKPANMHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O4/c12-7-3-6(5-14)10(8(13)4-7)17-9-1-2-16-11(9)15/h3-5,9H,1-2H2.
What are the key properties of 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde has a molecular weight of 275.09 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde is sourced from PubChem (CID 43516007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).