3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid

C17H18O4 — CID 117244358

IUPAC3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
SMILESCOc1cccc(OCC(C(=O)O)c2ccccc2C)c1
InChIInChI=1S/C17H18O4/c1-12-6-3-4-9-15(12)16(17(18)19)11-21-14-8-5-7-13(10-14)20-2/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyGVEGDZNIRHBRQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.25
Rot. Bonds6

About 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid

3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid (PubChem CID 117244358) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
PubChem CID117244358
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
SMILESCOc1cccc(OCC(C(=O)O)c2ccccc2C)c1
InChIInChI=1S/C17H18O4/c1-12-6-3-4-9-15(12)16(17(18)19)11-21-14-8-5-7-13(10-14)20-2/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyGVEGDZNIRHBRQR-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
CID 82136641
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
5-[3-[(3-methoxyphenyl)methoxy]phenyl]-2-methyl-4-(2-methylphenyl)-5-oxopentanoic acid
CID 67621388
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid (CID 117244358) is 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid is COc1cccc(OCC(C(=O)O)c2ccccc2C)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid?
The InChIKey is GVEGDZNIRHBRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-6-3-4-9-15(12)16(17(18)19)11-21-14-8-5-7-13(10-14)20-2/h3-10,16H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid?
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 117244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).