4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde

C13H18O4 — CID 61071247

IUPAC4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCCOCCO
InChIInChI=1S/C13H18O4/c1-10-7-12(9-15)8-11(2)13(10)17-6-5-16-4-3-14/h7-9,14H,3-6H2,1-2H3
InChIKeyGRJDEPDCAZWLEZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.50
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde

4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde (PubChem CID 61071247) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
PubChem CID61071247
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCCOCCO
InChIInChI=1S/C13H18O4/c1-10-7-12(9-15)8-11(2)13(10)17-6-5-16-4-3-14/h7-9,14H,3-6H2,1-2H3
InChIKeyGRJDEPDCAZWLEZ-UHFFFAOYSA-N
XLogP1.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
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

3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
CID 106453020
2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol
CID 11845008
4-[10-(4-formyl-2,6-dimethylphenoxy)decoxy]-3,5-dimethylbenzaldehyde
CID 59072946
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
4-(2-ethylsulfonylethoxy)-3,5-dimethylbenzaldehyde
CID 43807824
methyl 4-(4-formyl-2,6-dimethylphenoxy)butanoate
CID 43378050
4-(3-ethylsulfonylpropoxy)-3,5-dimethylbenzaldehyde
CID 65092860
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde
CID 14942293
4-(2-hydroxy-2-methylpropoxy)-3,5-dimethylbenzaldehyde
CID 60884438
4-hept-6-enoxy-3,5-dimethylbenzaldehyde
CID 107007315
3-(2-hydroxyethoxy)-5-methylbenzaldehyde
CID 170132633

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde (CID 61071247) is 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde is Cc1cc(C=O)cc(C)c1OCCOCCO.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde?
The InChIKey is GRJDEPDCAZWLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10-7-12(9-15)8-11(2)13(10)17-6-5-16-4-3-14/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde?
4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde has a molecular weight of 238.28 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 61071247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).