2-(2-methoxyethoxy)-3-propoxybenzaldehyde

C13H18O4 — CID 86623125

IUPAC2-(2-methoxyethoxy)-3-propoxybenzaldehyde
SMILESCCCOc1cccc(C=O)c1OCCOC
InChIInChI=1S/C13H18O4/c1-3-7-16-12-6-4-5-11(10-14)13(12)17-9-8-15-2/h4-6,10H,3,7-9H2,1-2H3
InChIKeyXSLFPIYQVRIRCC-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.31
Rot. Bonds8

About 2-(2-methoxyethoxy)-3-propoxybenzaldehyde

2-(2-methoxyethoxy)-3-propoxybenzaldehyde (PubChem CID 86623125) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-propoxybenzaldehyde
PubChem CID86623125
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(2-methoxyethoxy)-3-propoxybenzaldehyde
SMILESCCCOc1cccc(C=O)c1OCCOC
InChIInChI=1S/C13H18O4/c1-3-7-16-12-6-4-5-11(10-14)13(12)17-9-8-15-2/h4-6,10H,3,7-9H2,1-2H3
InChIKeyXSLFPIYQVRIRCC-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2,3-bis(2-fluoroethoxy)benzaldehyde
CID 15058684
3-formyl-2-(2-methoxyethoxy)benzonitrile
CID 177016506
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
4-(2-methoxyethoxy)anthracene-1-carbaldehyde
CID 19738626
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-propoxybenzaldehyde?
The IUPAC name of 2-(2-methoxyethoxy)-3-propoxybenzaldehyde (CID 86623125) is 2-(2-methoxyethoxy)-3-propoxybenzaldehyde.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-propoxybenzaldehyde?
The canonical SMILES for 2-(2-methoxyethoxy)-3-propoxybenzaldehyde is CCCOc1cccc(C=O)c1OCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)-3-propoxybenzaldehyde?
The InChIKey is XSLFPIYQVRIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-7-16-12-6-4-5-11(10-14)13(12)17-9-8-15-2/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-3-propoxybenzaldehyde?
2-(2-methoxyethoxy)-3-propoxybenzaldehyde has a molecular weight of 238.28 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-propoxybenzaldehyde is sourced from PubChem (CID 86623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).