3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde

C14H20O4 — CID 65175736

IUPAC3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
SMILESCCOCCCOc1c(C=O)cccc1OCC
InChIInChI=1S/C14H20O4/c1-3-16-9-6-10-18-14-12(11-15)7-5-8-13(14)17-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyUZGJACRXRBZIFN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds9

About 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde

3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde (PubChem CID 65175736) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
PubChem CID65175736
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
SMILESCCOCCCOc1c(C=O)cccc1OCC
InChIInChI=1S/C14H20O4/c1-3-16-9-6-10-18-14-12(11-15)7-5-8-13(14)17-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyUZGJACRXRBZIFN-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
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-ethoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzaldehyde
CID 61491424
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
3-ethoxy-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79227554
3-ethoxy-2-[3-(oxolan-2-yl)propoxy]benzaldehyde
CID 65161228
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde?
The IUPAC name of 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde (CID 65175736) is 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde?
The canonical SMILES for 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde is CCOCCCOc1c(C=O)cccc1OCC.
What is the InChIKey of 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde?
The InChIKey is UZGJACRXRBZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-16-9-6-10-18-14-12(11-15)7-5-8-13(14)17-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3.
What are the key properties of 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde?
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde is sourced from PubChem (CID 65175736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).