4-[2-(2-methoxyethoxy)phenyl]benzaldehyde

C16H16O3 — CID 113438349

IUPAC4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
SMILESCOCCOc1ccccc1-c1ccc(C=O)cc1
InChIInChI=1S/C16H16O3/c1-18-10-11-19-16-5-3-2-4-15(16)14-8-6-13(12-17)7-9-14/h2-9,12H,10-11H2,1H3
InChIKeyGIGYTVXOAOELGU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.19
Rot. Bonds6

About 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde

4-[2-(2-methoxyethoxy)phenyl]benzaldehyde (PubChem CID 113438349) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
PubChem CID113438349
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
SMILESCOCCOc1ccccc1-c1ccc(C=O)cc1
InChIInChI=1S/C16H16O3/c1-18-10-11-19-16-5-3-2-4-15(16)14-8-6-13(12-17)7-9-14/h2-9,12H,10-11H2,1H3
InChIKeyGIGYTVXOAOELGU-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
CID 67257428
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde
CID 22237579
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
bis[2-(2-methoxyethoxy)phenyl]iodanium
CID 139829734
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde?
The IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde (CID 113438349) is 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde?
The canonical SMILES for 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde is COCCOc1ccccc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde?
The InChIKey is GIGYTVXOAOELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-10-11-19-16-5-3-2-4-15(16)14-8-6-13(12-17)7-9-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde?
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 113438349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).