2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid

C20H24O3 — CID 83951471

IUPAC2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
SMILESCCCOc1cccc(CC(C(=O)O)c2ccc(CC)cc2)c1
InChIInChI=1S/C20H24O3/c1-3-12-23-18-7-5-6-16(13-18)14-19(20(21)22)17-10-8-15(4-2)9-11-17/h5-11,13,19H,3-4,12,14H2,1-2H3,(H,21,22)
InChIKeyZLZYOVMRYGCFJY-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.45
Rot. Bonds8

About 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid

2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid (PubChem CID 83951471) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
PubChem CID83951471
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
SMILESCCCOc1cccc(CC(C(=O)O)c2ccc(CC)cc2)c1
InChIInChI=1S/C20H24O3/c1-3-12-23-18-7-5-6-16(13-18)14-19(20(21)22)17-10-8-15(4-2)9-11-17/h5-11,13,19H,3-4,12,14H2,1-2H3,(H,21,22)
InChIKeyZLZYOVMRYGCFJY-UHFFFAOYSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687022
2-(4-aminophenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951463
2-(4-ethylphenyl)-3-[3-(2-methylpropoxy)phenyl]propanoic acid
CID 83953697
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanoic acid
CID 22680332
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
2-(4-tert-butylphenyl)-3-(4-propoxyphenyl)propanoic acid
CID 67490583
2-(3-propoxyphenyl)butanoic acid
CID 54432962
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid (CID 83951471) is 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid is CCCOc1cccc(CC(C(=O)O)c2ccc(CC)cc2)c1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid?
The InChIKey is ZLZYOVMRYGCFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-12-23-18-7-5-6-16(13-18)14-19(20(21)22)17-10-8-15(4-2)9-11-17/h5-11,13,19H,3-4,12,14H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid?
2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid is sourced from PubChem (CID 83951471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).