3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid

C17H18O4 — CID 117245230

IUPAC3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
SMILESCOc1cccc(OCC(C(=O)O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H18O4/c1-12-6-8-13(9-7-12)16(17(18)19)11-21-15-5-3-4-14(10-15)20-2/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyFDFSJWPHRGFSST-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.25
Rot. Bonds6

About 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid

3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid (PubChem CID 117245230) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
PubChem CID117245230
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
SMILESCOc1cccc(OCC(C(=O)O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H18O4/c1-12-6-8-13(9-7-12)16(17(18)19)11-21-15-5-3-4-14(10-15)20-2/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyFDFSJWPHRGFSST-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

2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243386
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245170
2-(3-methoxyphenoxy)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132651357
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid (CID 117245230) is 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid is COc1cccc(OCC(C(=O)O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid?
The InChIKey is FDFSJWPHRGFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-6-8-13(9-7-12)16(17(18)19)11-21-15-5-3-4-14(10-15)20-2/h3-10,16H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid?
3-(3-methoxyphenoxy)-2-(4-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-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 117245230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).