3-chloro-2-(oxolan-3-yloxy)benzaldehyde

C11H11ClO3 — CID 112611282

IUPAC3-chloro-2-(oxolan-3-yloxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OC1CCOC1
InChIInChI=1S/C11H11ClO3/c12-10-3-1-2-8(6-13)11(10)15-9-4-5-14-7-9/h1-3,6,9H,4-5,7H2
InChIKeyNGHILJSYIIFWLV-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.32
Rot. Bonds3

About 3-chloro-2-(oxolan-3-yloxy)benzaldehyde

3-chloro-2-(oxolan-3-yloxy)benzaldehyde (PubChem CID 112611282) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-chloro-2-(oxolan-3-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(oxolan-3-yloxy)benzaldehyde
PubChem CID112611282
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name3-chloro-2-(oxolan-3-yloxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OC1CCOC1
InChIInChI=1S/C11H11ClO3/c12-10-3-1-2-8(6-13)11(10)15-9-4-5-14-7-9/h1-3,6,9H,4-5,7H2
InChIKeyNGHILJSYIIFWLV-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-2-(oxolan-3-yloxy)benzaldehyde?
The IUPAC name of 3-chloro-2-(oxolan-3-yloxy)benzaldehyde (CID 112611282) is 3-chloro-2-(oxolan-3-yloxy)benzaldehyde.
What is the SMILES notation for 3-chloro-2-(oxolan-3-yloxy)benzaldehyde?
The canonical SMILES for 3-chloro-2-(oxolan-3-yloxy)benzaldehyde is O=Cc1cccc(Cl)c1OC1CCOC1.
What is the InChIKey of 3-chloro-2-(oxolan-3-yloxy)benzaldehyde?
The InChIKey is NGHILJSYIIFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-10-3-1-2-8(6-13)11(10)15-9-4-5-14-7-9/h1-3,6,9H,4-5,7H2.
What are the key properties of 3-chloro-2-(oxolan-3-yloxy)benzaldehyde?
3-chloro-2-(oxolan-3-yloxy)benzaldehyde has a molecular weight of 226.66 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxolan-3-yloxy)benzaldehyde is sourced from PubChem (CID 112611282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).