3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde

C23H22O4 — CID 22681141

IUPAC3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22O4/c1-2-25-23-16-18(17-24)12-13-22(23)27-15-14-26-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-13,16-17H,2,14-15H2,1H3
InChIKeyHDUOXSDJDHTLJJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.02
Rot. Bonds9

About 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde

3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde (PubChem CID 22681141) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
PubChem CID22681141
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22O4/c1-2-25-23-16-18(17-24)12-13-22(23)27-15-14-26-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-13,16-17H,2,14-15H2,1H3
InChIKeyHDUOXSDJDHTLJJ-UHFFFAOYSA-N
XLogP5.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.02
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

4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2229149
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzenecarbothioamide
CID 22681369
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
3-ethoxy-4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde
CID 23010097
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
CID 23011379

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde (CID 22681141) is 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde?
The InChIKey is HDUOXSDJDHTLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-2-25-23-16-18(17-24)12-13-22(23)27-15-14-26-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-13,16-17H,2,14-15H2,1H3.
What are the key properties of 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde?
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde has a molecular weight of 362.43 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 22681141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).