3-(3-chloro-4-ethoxyphenyl)propanoic acid

C11H13ClO3 — CID 82052851

IUPAC3-(3-chloro-4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CCC(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-2-15-10-5-3-8(7-9(10)12)4-6-11(13)14/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyZFSYUEOESVIFPN-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.76
Rot. Bonds5

About 3-(3-chloro-4-ethoxyphenyl)propanoic acid

3-(3-chloro-4-ethoxyphenyl)propanoic acid (PubChem CID 82052851) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)propanoic acid
PubChem CID82052851
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name3-(3-chloro-4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CCC(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-2-15-10-5-3-8(7-9(10)12)4-6-11(13)14/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyZFSYUEOESVIFPN-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-carboxyethyl)-2-ethoxybenzoic acid
CID 82052360
4-[(3-chloro-4-ethoxyphenyl)methylamino]butanoic acid
CID 102536590
3-(4-ethoxy-3-formylphenyl)propanoic acid
CID 138986606
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]-1-methylurea
CID 115168646
3-[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxyphenyl]propanoic acid
CID 20990343
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
2-(3-chloro-4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844806

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)propanoic acid (CID 82052851) is 3-(3-chloro-4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)propanoic acid is CCOc1ccc(CCC(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)propanoic acid?
The InChIKey is ZFSYUEOESVIFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-2-15-10-5-3-8(7-9(10)12)4-6-11(13)14/h3,5,7H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)propanoic acid?
3-(3-chloro-4-ethoxyphenyl)propanoic acid has a molecular weight of 228.67 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 82052851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).