2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid

C13H15ClO3 — CID 103272730

IUPAC2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
SMILESCc1ccc(OC2(CC(=O)O)CCC2)c(Cl)c1
InChIInChI=1S/C13H15ClO3/c1-9-3-4-11(10(14)7-9)17-13(5-2-6-13)8-12(15)16/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyZCURVBKGRHYLHG-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.42
Rot. Bonds4

About 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid

2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid (PubChem CID 103272730) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
PubChem CID103272730
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
SMILESCc1ccc(OC2(CC(=O)O)CCC2)c(Cl)c1
InChIInChI=1S/C13H15ClO3/c1-9-3-4-11(10(14)7-9)17-13(5-2-6-13)8-12(15)16/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyZCURVBKGRHYLHG-UHFFFAOYSA-N
XLogP3.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid (CID 103272730) is 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid is Cc1ccc(OC2(CC(=O)O)CCC2)c(Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid?
The InChIKey is ZCURVBKGRHYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-9-3-4-11(10(14)7-9)17-13(5-2-6-13)8-12(15)16/h3-4,7H,2,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid?
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid has a molecular weight of 254.71 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).