3-(4-ethoxyphenyl)-2-phenylpropanoic acid

C17H18O3 — CID 20994053

IUPAC3-(4-ethoxyphenyl)-2-phenylpropanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-2-20-15-10-8-13(9-11-15)12-16(17(18)19)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)
InChIKeyLXXIJWIWXVBTCK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds6

About 3-(4-ethoxyphenyl)-2-phenylpropanoic acid

3-(4-ethoxyphenyl)-2-phenylpropanoic acid (PubChem CID 20994053) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-phenylpropanoic acid
PubChem CID20994053
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(4-ethoxyphenyl)-2-phenylpropanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-2-20-15-10-8-13(9-11-15)12-16(17(18)19)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)
InChIKeyLXXIJWIWXVBTCK-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 97221650
(2R)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 97221649
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
2-(3-ethoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953456
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687022
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-2-phenylpropanoic acid (CID 20994053) is 3-(4-ethoxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-phenylpropanoic acid is CCOc1ccc(CC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-phenylpropanoic acid?
The InChIKey is LXXIJWIWXVBTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-20-15-10-8-13(9-11-15)12-16(17(18)19)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19).
What are the key properties of 3-(4-ethoxyphenyl)-2-phenylpropanoic acid?
3-(4-ethoxyphenyl)-2-phenylpropanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 20994053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).