3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid

C24H24O4 — CID 10714560

IUPAC3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
SMILESCCc1ccc(CC(C)(Oc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1
InChIInChI=1S/C24H24O4/c1-3-18-9-11-19(12-10-18)17-24(2,23(25)26)28-22-15-13-21(14-16-22)27-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H,25,26)
InChIKeyUNSBYUYIXJFGAX-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.51
Rot. Bonds8

About 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid

3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid (PubChem CID 10714560) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
PubChem CID10714560
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
SMILESCCc1ccc(CC(C)(Oc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1
InChIInChI=1S/C24H24O4/c1-3-18-9-11-19(12-10-18)17-24(2,23(25)26)28-22-15-13-21(14-16-22)27-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H,25,26)
InChIKeyUNSBYUYIXJFGAX-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
ethyl 2-(4-benzoylphenoxy)-3-(4-ethylphenyl)-2-methylpropanoate
CID 10549831
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
2-(4-ethylphenoxy)-2-methyloctanoic acid
CID 175308867
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
(2S)-3-[4-[3-[butylcarbamoyl(methyl)amino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid
CID 58582506
sodium 2-(4-benzylphenoxy)-3-(3-ethylphenyl)-2-methylpropanoate
CID 23670640
3-[4-[3-[benzyl(phenylcarbamoyl)amino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid
CID 23590899
(2S)-2-methyl-2-phenoxy-3-[4-[3-[(4-phenylphenyl)carbamoyl-propylamino]propoxy]phenyl]propanoic acid
CID 58582530
3-[4-[3-[benzyl(propan-2-ylcarbamoyl)amino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid
CID 23590896
(2S)-3-[4-[3-[benzyl-[(4-butylphenyl)carbamoyl]amino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid
CID 58582500

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
The IUPAC name of 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid (CID 10714560) is 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid is CCc1ccc(CC(C)(Oc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
The InChIKey is UNSBYUYIXJFGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-3-18-9-11-19(12-10-18)17-24(2,23(25)26)28-22-15-13-21(14-16-22)27-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H,25,26).
What are the key properties of 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid has a molecular weight of 376.45 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid is sourced from PubChem (CID 10714560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).