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

C17H18O3 — CID 83953187

IUPAC3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCCc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-2-12-3-5-13(6-4-12)11-16(17(19)20)14-7-9-15(18)10-8-14/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKeyWUZIAFAMNIIMQS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.37
Rot. Bonds5

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

3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 83953187) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
PubChem CID83953187
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCCc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-2-12-3-5-13(6-4-12)11-16(17(19)20)14-7-9-15(18)10-8-14/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKeyWUZIAFAMNIIMQS-UHFFFAOYSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
(2S)-2,3-diphenylpropanoic acid
CID 737125

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid (CID 83953187) is 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid is CCc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is WUZIAFAMNIIMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-12-3-5-13(6-4-12)11-16(17(19)20)14-7-9-15(18)10-8-14/h3-10,16,18H,2,11H2,1H3,(H,19,20).
What are the key properties of 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid?
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83953187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).