3-(2-ethoxy-5-phenylphenyl)propanoic acid

C17H18O3 — CID 83969109

IUPAC3-(2-ethoxy-5-phenylphenyl)propanoic acid
SMILESCCOc1ccc(-c2ccccc2)cc1CCC(=O)O
InChIInChI=1S/C17H18O3/c1-2-20-16-10-8-14(13-6-4-3-5-7-13)12-15(16)9-11-17(18)19/h3-8,10,12H,2,9,11H2,1H3,(H,18,19)
InChIKeyTXQXZBNPYVCJGZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.77
Rot. Bonds6

About 3-(2-ethoxy-5-phenylphenyl)propanoic acid

3-(2-ethoxy-5-phenylphenyl)propanoic acid (PubChem CID 83969109) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2-ethoxy-5-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-5-phenylphenyl)propanoic acid
PubChem CID83969109
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(2-ethoxy-5-phenylphenyl)propanoic acid
SMILESCCOc1ccc(-c2ccccc2)cc1CCC(=O)O
InChIInChI=1S/C17H18O3/c1-2-20-16-10-8-14(13-6-4-3-5-7-13)12-15(16)9-11-17(18)19/h3-8,10,12H,2,9,11H2,1H3,(H,18,19)
InChIKeyTXQXZBNPYVCJGZ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
3-[4-[(4-tert-butylphenyl)methoxy]-3-(2-carboxyethyl)phenyl]benzoic acid
CID 67443166
3-(2-amino-4-phenylphenyl)propanoic acid
CID 67367473
3-(4-ethoxy-3-pyridinyl)propanoic acid
CID 84666014
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
CID 68548212
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
CID 82041837
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-phenylphenyl)propanoic acid?
The IUPAC name of 3-(2-ethoxy-5-phenylphenyl)propanoic acid (CID 83969109) is 3-(2-ethoxy-5-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-ethoxy-5-phenylphenyl)propanoic acid?
The canonical SMILES for 3-(2-ethoxy-5-phenylphenyl)propanoic acid is CCOc1ccc(-c2ccccc2)cc1CCC(=O)O.
What is the InChIKey of 3-(2-ethoxy-5-phenylphenyl)propanoic acid?
The InChIKey is TXQXZBNPYVCJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-20-16-10-8-14(13-6-4-3-5-7-13)12-15(16)9-11-17(18)19/h3-8,10,12H,2,9,11H2,1H3,(H,18,19).
What are the key properties of 3-(2-ethoxy-5-phenylphenyl)propanoic acid?
3-(2-ethoxy-5-phenylphenyl)propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-phenylphenyl)propanoic acid is sourced from PubChem (CID 83969109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).