structure of 2-{3-[(2-methylphenyl)methoxy]phenyl}acetic acid

2-{3-[(2-methylphenyl)methoxy]phenyl}acetic acid

CAS No.: 1000567-84-9
M. Wt: 256.3
M. Fa: C16H16O3
InChI Key: CUNXDTUAQMRCRX-UHFFFAOYSA-N

Names and Identifiers of 1000567-84-9

CAS Number

1000567-84-9

MDL Number

MFCD09925286

IUPAC Name

2-{3-[(2-methylphenyl)methoxy]phenyl}acetic acid

InChI

InChI=1S/C16H16O3/c1-12-5-2-3-7-14(12)11-19-15-8-4-6-13(9-15)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)

InChIKey

CUNXDTUAQMRCRX-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=CC=C1COC1=CC=CC(CC(=O)O)=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000567-84-9

Boiling Point

433.3±30.0 °C(Predicted)

Density

1.176±0.06 g/cm3(Predicted)

H Bond Acceptors

3

H Bond Donors

1

LogP

3.69121734633333

Molecular Formula

C16H16O3

Molecular Weight

256.3

Safety Information of 1000567-84-9

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000567-84-9

The primary applications of 2-{3-[(2-Methylphenyl)methoxy]phenyl}acetic acid lie in medicinal chemistry and pharmaceutical development. Its potential anti-inflammatory properties make it a candidate for drug formulation aimed at treating pain and inflammatory conditions. Additionally, its unique structure may allow for further modifications leading to novel therapeutic agents.

Interaction Studies of 1000567-84-9

Interaction studies for 2-{3-[(2-Methylphenyl)methoxy]phenyl}acetic acid focus on its binding affinity to various biological targets. Preliminary studies suggest it may interact with cyclooxygenase enzymes, similar to non-steroidal anti-inflammatory drugs (NSAIDs). Further research is necessary to elucidate its interaction profiles and mechanism of action in biological systems.