2-ethoxybenzene-1,3-dicarbaldehyde

C10H10O3 — CID 15757941

IUPAC2-ethoxybenzene-1,3-dicarbaldehyde
SMILESCCOc1c(C=O)cccc1C=O
InChIInChI=1S/C10H10O3/c1-2-13-10-8(6-11)4-3-5-9(10)7-12/h3-7H,2H2,1H3
InChIKeyJYZBQPJFHUPZSR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.71
Rot. Bonds4

About 2-ethoxybenzene-1,3-dicarbaldehyde

2-ethoxybenzene-1,3-dicarbaldehyde (PubChem CID 15757941) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-ethoxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-ethoxybenzene-1,3-dicarbaldehyde
PubChem CID15757941
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-ethoxybenzene-1,3-dicarbaldehyde
SMILESCCOc1c(C=O)cccc1C=O
InChIInChI=1S/C10H10O3/c1-2-13-10-8(6-11)4-3-5-9(10)7-12/h3-7H,2H2,1H3
InChIKeyJYZBQPJFHUPZSR-UHFFFAOYSA-N
XLogP1.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxybenzene-1,3-dicarbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethoxy-3-formylphenyl)propanoic acid
CID 134658416
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2,3-diethoxy-4-pyrrol-1-ylbenzaldehyde
CID 87311944
sodium 2-ethoxy-6-formylphenolate
CID 102504150
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 2-ethoxybenzene-1,3-dicarbaldehyde (CID 15757941) is 2-ethoxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-ethoxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-ethoxybenzene-1,3-dicarbaldehyde is CCOc1c(C=O)cccc1C=O.
What is the InChIKey of 2-ethoxybenzene-1,3-dicarbaldehyde?
The InChIKey is JYZBQPJFHUPZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-2-13-10-8(6-11)4-3-5-9(10)7-12/h3-7H,2H2,1H3.
What are the key properties of 2-ethoxybenzene-1,3-dicarbaldehyde?
2-ethoxybenzene-1,3-dicarbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 15757941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).