3-[2-(2-methylphenoxy)ethoxy]benzaldehyde

C16H16O3 — CID 2295834

IUPAC3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
SMILESCc1ccccc1OCCOc1cccc(C=O)c1
InChIInChI=1S/C16H16O3/c1-13-5-2-3-8-16(13)19-10-9-18-15-7-4-6-14(11-15)12-17/h2-8,11-12H,9-10H2,1H3
InChIKeySAVUJGRYPGZXAV-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.27
Rot. Bonds6

About 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde

3-[2-(2-methylphenoxy)ethoxy]benzaldehyde (PubChem CID 2295834) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
PubChem CID2295834
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
SMILESCc1ccccc1OCCOc1cccc(C=O)c1
InChIInChI=1S/C16H16O3/c1-13-5-2-3-8-16(13)19-10-9-18-15-7-4-6-14(11-15)12-17/h2-8,11-12H,9-10H2,1H3
InChIKeySAVUJGRYPGZXAV-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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

3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
3-(2-methylsulfanyloxyethoxy)benzaldehyde
CID 143732279
3-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzaldehyde
CID 20986486
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
3-butoxybenzaldehyde;ethane
CID 91380350
3-[4-(dimethylamino)butoxy]benzaldehyde
CID 50874377
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
3-methyl-5-[[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2890756
3-(3,3,3-trifluoropropoxy)benzaldehyde
CID 21071509
3-(3,3-difluoropropoxy)benzaldehyde
CID 83854624
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde (CID 2295834) is 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde is Cc1ccccc1OCCOc1cccc(C=O)c1.
What is the InChIKey of 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde?
The InChIKey is SAVUJGRYPGZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-13-5-2-3-8-16(13)19-10-9-18-15-7-4-6-14(11-15)12-17/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde?
3-[2-(2-methylphenoxy)ethoxy]benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 2295834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).