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

C24H24O5 — CID 58172961

IUPAC3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H24O5/c1-2-27-23(16-24(25)26)19-11-13-20(14-12-19)28-17-18-7-6-10-22(15-18)29-21-8-4-3-5-9-21/h3-15,23H,2,16-17H2,1H3,(H,25,26)
InChIKeyINFWETYQHQCBJT-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.61
Rot. Bonds10

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

3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid (PubChem CID 58172961) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
PubChem CID58172961
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H24O5/c1-2-27-23(16-24(25)26)19-11-13-20(14-12-19)28-17-18-7-6-10-22(15-18)29-21-8-4-3-5-9-21/h3-15,23H,2,16-17H2,1H3,(H,25,26)
InChIKeyINFWETYQHQCBJT-UHFFFAOYSA-N
XLogP5.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid (CID 58172961) is 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid is CCOC(CC(=O)O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is INFWETYQHQCBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-2-27-23(16-24(25)26)19-11-13-20(14-12-19)28-17-18-7-6-10-22(15-18)29-21-8-4-3-5-9-21/h3-15,23H,2,16-17H2,1H3,(H,25,26).
What are the key properties of 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 392.45 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 58172961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).