2-(1,2-dimethoxyethyl)benzaldehyde

C11H14O3 — CID 117275927

IUPAC2-(1,2-dimethoxyethyl)benzaldehyde
SMILESCOCC(OC)c1ccccc1C=O
InChIInChI=1S/C11H14O3/c1-13-8-11(14-2)10-6-4-3-5-9(10)7-12/h3-7,11H,8H2,1-2H3
InChIKeyXGQDQGZIOACJPM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.83
Rot. Bonds5

About 2-(1,2-dimethoxyethyl)benzaldehyde

2-(1,2-dimethoxyethyl)benzaldehyde (PubChem CID 117275927) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1,2-dimethoxyethyl)benzaldehyde.

Molecular Properties

Compound Name2-(1,2-dimethoxyethyl)benzaldehyde
PubChem CID117275927
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(1,2-dimethoxyethyl)benzaldehyde
SMILESCOCC(OC)c1ccccc1C=O
InChIInChI=1S/C11H14O3/c1-13-8-11(14-2)10-6-4-3-5-9(10)7-12/h3-7,11H,8H2,1-2H3
InChIKeyXGQDQGZIOACJPM-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,2-dimethoxyethyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethoxyethyl)benzaldehyde?
The IUPAC name of 2-(1,2-dimethoxyethyl)benzaldehyde (CID 117275927) is 2-(1,2-dimethoxyethyl)benzaldehyde.
What is the SMILES notation for 2-(1,2-dimethoxyethyl)benzaldehyde?
The canonical SMILES for 2-(1,2-dimethoxyethyl)benzaldehyde is COCC(OC)c1ccccc1C=O.
What is the InChIKey of 2-(1,2-dimethoxyethyl)benzaldehyde?
The InChIKey is XGQDQGZIOACJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-13-8-11(14-2)10-6-4-3-5-9(10)7-12/h3-7,11H,8H2,1-2H3.
What are the key properties of 2-(1,2-dimethoxyethyl)benzaldehyde?
2-(1,2-dimethoxyethyl)benzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethoxyethyl)benzaldehyde is sourced from PubChem (CID 117275927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).