4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid

C14H19ClO4 — CID 63074662

IUPAC4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid
SMILESCCOC(CCOc1ccc(Cl)c(CC)c1)C(=O)O
InChIInChI=1S/C14H19ClO4/c1-3-10-9-11(5-6-12(10)15)19-8-7-13(14(16)17)18-4-2/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyTZRCBLGXWIZIKC-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.16
Rot. Bonds8

About 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid

4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid (PubChem CID 63074662) has the molecular formula C14H19ClO4 and a molecular weight of 286.75 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid
PubChem CID63074662
Molecular FormulaC14H19ClO4
Molecular Weight286.75 g/mol
Exact Mass286.10
IUPAC Name4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid
SMILESCCOC(CCOc1ccc(Cl)c(CC)c1)C(=O)O
InChIInChI=1S/C14H19ClO4/c1-3-10-9-11(5-6-12(10)15)19-8-7-13(14(16)17)18-4-2/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyTZRCBLGXWIZIKC-UHFFFAOYSA-N
XLogP3.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
CID 55180899
2-ethoxy-4-(4-propylphenoxy)butanoic acid
CID 63075186
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393
4-(3,4-dichlorophenoxy)-2-methylbutanoic acid
CID 82091070
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
2-chloro-5-(3-hydroxybutoxy)benzoic acid
CID 106500843
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid (CID 63074662) is 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid is CCOC(CCOc1ccc(Cl)c(CC)c1)C(=O)O.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid?
The InChIKey is TZRCBLGXWIZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4/c1-3-10-9-11(5-6-12(10)15)19-8-7-13(14(16)17)18-4-2/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid?
4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid has a molecular weight of 286.75 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid is sourced from PubChem (CID 63074662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).