2-[(2,6-dichlorophenyl)methoxy]propanal

C10H10Cl2O2 — CID 71342510

IUPAC2-[(2,6-dichlorophenyl)methoxy]propanal
SMILESCC(C=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-7(5-13)14-6-8-9(11)3-2-4-10(8)12/h2-5,7H,6H2,1H3
InChIKeyWUVXLFOYQVQBOI-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.10
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methoxy]propanal

2-[(2,6-dichlorophenyl)methoxy]propanal (PubChem CID 71342510) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methoxy]propanal.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methoxy]propanal
PubChem CID71342510
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2-[(2,6-dichlorophenyl)methoxy]propanal
SMILESCC(C=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-7(5-13)14-6-8-9(11)3-2-4-10(8)12/h2-5,7H,6H2,1H3
InChIKeyWUVXLFOYQVQBOI-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]propanal?
The IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]propanal (CID 71342510) is 2-[(2,6-dichlorophenyl)methoxy]propanal.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methoxy]propanal?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methoxy]propanal is CC(C=O)OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methoxy]propanal?
The InChIKey is WUVXLFOYQVQBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-7(5-13)14-6-8-9(11)3-2-4-10(8)12/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methoxy]propanal?
2-[(2,6-dichlorophenyl)methoxy]propanal has a molecular weight of 233.09 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methoxy]propanal is sourced from PubChem (CID 71342510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).