3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid

C18H20O4 — CID 22683637

IUPAC3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
SMILESCc1ccccc1OCCOc1ccccc1CCC(=O)O
InChIInChI=1S/C18H20O4/c1-14-6-2-4-8-16(14)21-12-13-22-17-9-5-3-7-15(17)10-11-18(19)20/h2-9H,10-13H2,1H3,(H,19,20)
InChIKeyTUEVTKVARZGJTK-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.47
Rot. Bonds8

About 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid

3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid (PubChem CID 22683637) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
PubChem CID22683637
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
SMILESCc1ccccc1OCCOc1ccccc1CCC(=O)O
InChIInChI=1S/C18H20O4/c1-14-6-2-4-8-16(14)21-12-13-22-17-9-5-3-7-15(17)10-11-18(19)20/h2-9H,10-13H2,1H3,(H,19,20)
InChIKeyTUEVTKVARZGJTK-UHFFFAOYSA-N
XLogP3.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2-methylphenoxy)heptanoic acid
CID 92930643
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
4-[2-[2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20987534
3-[2-(2-fluoropropoxy)phenyl]propanoic acid
CID 84614665
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
3-[5-bromo-2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20989144
4-[2-[2-[(2-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20991369
3-[4-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987004

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid (CID 22683637) is 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid is Cc1ccccc1OCCOc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid?
The InChIKey is TUEVTKVARZGJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-14-6-2-4-8-16(14)21-12-13-22-17-9-5-3-7-15(17)10-11-18(19)20/h2-9H,10-13H2,1H3,(H,19,20).
What are the key properties of 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid?
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 22683637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).