3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid

C13H15ClO3 — CID 117245736

IUPAC3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
SMILESO=C(O)C(COc1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C13H15ClO3/c14-10-4-6-11(7-5-10)17-8-12(13(15)16)9-2-1-3-9/h4-7,9,12H,1-3,8H2,(H,15,16)
InChIKeyMJFAUGDAAKVADZ-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.22
Rot. Bonds5

About 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid

3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid (PubChem CID 117245736) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
PubChem CID117245736
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
SMILESO=C(O)C(COc1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C13H15ClO3/c14-10-4-6-11(7-5-10)17-8-12(13(15)16)9-2-1-3-9/h4-7,9,12H,1-3,8H2,(H,15,16)
InChIKeyMJFAUGDAAKVADZ-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenoxy)-2-(oxan-4-yl)propanoic acid
CID 117239787
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
CID 117245713
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
2-(1,1-dioxothian-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239796
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
[2-(4-chlorophenoxy)-1-cyclobutylethyl]hydrazine
CID 105340102
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid?
The IUPAC name of 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid (CID 117245736) is 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid.
What is the SMILES notation for 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid?
The canonical SMILES for 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid is O=C(O)C(COc1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid?
The InChIKey is MJFAUGDAAKVADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-10-4-6-11(7-5-10)17-8-12(13(15)16)9-2-1-3-9/h4-7,9,12H,1-3,8H2,(H,15,16).
What are the key properties of 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid?
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid has a molecular weight of 254.71 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid is sourced from PubChem (CID 117245736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).