3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid

C24H24O4 — CID 23083190

IUPAC3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid
SMILESCc1cccc(C)c1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C24H24O4/c1-17-5-3-6-18(2)24(17)28-22-8-4-7-20(15-22)16-27-21-12-9-19(10-13-21)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)
InChIKeyLVEBWTURJCJOLX-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.69
Rot. Bonds8

About 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid

3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 23083190) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid
PubChem CID23083190
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid
SMILESCc1cccc(C)c1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C24H24O4/c1-17-5-3-6-18(2)24(17)28-22-8-4-7-20(15-22)16-27-21-12-9-19(10-13-21)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)
InChIKeyLVEBWTURJCJOLX-UHFFFAOYSA-N
XLogP5.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid (CID 23083190) is 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid is Cc1cccc(C)c1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1.
What is the InChIKey of 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is LVEBWTURJCJOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-17-5-3-6-18(2)24(17)28-22-8-4-7-20(15-22)16-27-21-12-9-19(10-13-21)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid?
3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 376.45 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2,6-dimethylphenoxy)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23083190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).