3-(4-chlorophenyl)-2-ethoxypropanoic acid

C11H13ClO3 — CID 84726078

IUPAC3-(4-chlorophenyl)-2-ethoxypropanoic acid
SMILESCCOC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H13ClO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKeyCUSRQHIMZYVXEU-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.37
Rot. Bonds5

About 3-(4-chlorophenyl)-2-ethoxypropanoic acid

3-(4-chlorophenyl)-2-ethoxypropanoic acid (PubChem CID 84726078) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethoxypropanoic acid
PubChem CID84726078
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name3-(4-chlorophenyl)-2-ethoxypropanoic acid
SMILESCCOC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H13ClO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKeyCUSRQHIMZYVXEU-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-phenylpropanoic acid
CID 54403311
2-ethoxy-3-(4-iodophenyl)propanoic acid
CID 133245448
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
(2S)-3-[4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 68856560
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
(2S)-3-[4-[2-[(4-chlorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 11179992
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
3-(3,5-dimethylphenyl)-2-ethoxypropanoic acid
CID 133237900
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethoxypropanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-ethoxypropanoic acid (CID 84726078) is 3-(4-chlorophenyl)-2-ethoxypropanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethoxypropanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethoxypropanoic acid is CCOC(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethoxypropanoic acid?
The InChIKey is CUSRQHIMZYVXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14).
What are the key properties of 3-(4-chlorophenyl)-2-ethoxypropanoic acid?
3-(4-chlorophenyl)-2-ethoxypropanoic acid has a molecular weight of 228.67 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-ethoxypropanoic acid is sourced from PubChem (CID 84726078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).