3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid

C19H22O5 — CID 22687548

IUPAC3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H22O5/c1-14-3-7-16(8-4-14)23-11-12-24-18-13-17(22-2)9-5-15(18)6-10-19(20)21/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,20,21)
InChIKeyZSRPZOVFRJACCI-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.48
Rot. Bonds9

About 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid

3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid (PubChem CID 22687548) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
PubChem CID22687548
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H22O5/c1-14-3-7-16(8-4-14)23-11-12-24-18-13-17(22-2)9-5-15(18)6-10-19(20)21/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,20,21)
InChIKeyZSRPZOVFRJACCI-UHFFFAOYSA-N
XLogP3.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
CID 20988529
3-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 20992818
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
2-[2-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991049
3-[2-hydroxy-4-(2-methoxyethoxy)phenyl]propanoic acid
CID 67735917
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
4-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzenecarbothioamide
CID 22685383
3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20992180
3-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 22680504
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22683637

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid (CID 22687548) is 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid is COc1ccc(CCC(=O)O)c(OCCOc2ccc(C)cc2)c1.
What is the InChIKey of 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid?
The InChIKey is ZSRPZOVFRJACCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-14-3-7-16(8-4-14)23-11-12-24-18-13-17(22-2)9-5-15(18)6-10-19(20)21/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid?
3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 22687548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).