2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid

C13H16O4 — CID 103272392

IUPAC2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
SMILESCOc1ccc(OC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C13H16O4/c1-16-10-3-5-11(6-4-10)17-13(7-2-8-13)9-12(14)15/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyZFVIJIMJKLXVDT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.47
Rot. Bonds5

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

2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid (PubChem CID 103272392) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
PubChem CID103272392
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
SMILESCOc1ccc(OC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C13H16O4/c1-16-10-3-5-11(6-4-10)17-13(7-2-8-13)9-12(14)15/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyZFVIJIMJKLXVDT-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
CID 103272356
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]acetic acid
CID 107722332
2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
CID 103272592
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
CID 107140804
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411
2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
CID 107140663
2-[1-(3-fluoro-5-formylphenoxy)cyclobutyl]acetic acid
CID 103272881
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
CID 103272594
2-[1-(2,4-dibromophenoxy)cyclobutyl]acetic acid
CID 103272583
2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
CID 103272405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid (CID 103272392) is 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid is COc1ccc(OC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid?
The InChIKey is ZFVIJIMJKLXVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-10-3-5-11(6-4-10)17-13(7-2-8-13)9-12(14)15/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid?
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).