2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid

C14H18O3 — CID 103272592

IUPAC2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
SMILESCCc1ccccc1OC1(CC(=O)O)CCC1
InChIInChI=1S/C14H18O3/c1-2-11-6-3-4-7-12(11)17-14(8-5-9-14)10-13(15)16/h3-4,6-7H,2,5,8-10H2,1H3,(H,15,16)
InChIKeyZSOURXAHGQQSDJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid

2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid (PubChem CID 103272592) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
PubChem CID103272592
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
SMILESCCc1ccccc1OC1(CC(=O)O)CCC1
InChIInChI=1S/C14H18O3/c1-2-11-6-3-4-7-12(11)17-14(8-5-9-14)10-13(15)16/h3-4,6-7H,2,5,8-10H2,1H3,(H,15,16)
InChIKeyZSOURXAHGQQSDJ-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
CID 103272405
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392
2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
CID 103272478
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
CID 103272594
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199421
2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
CID 103272356
2-[1-(2,4-dibromophenoxy)cyclobutyl]acetic acid
CID 103272583
carbonic acid;1,2-diethylbenzene
CID 89388803
2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid
CID 103272433

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid (CID 103272592) is 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid is CCc1ccccc1OC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid?
The InChIKey is ZSOURXAHGQQSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-11-6-3-4-7-12(11)17-14(8-5-9-14)10-13(15)16/h3-4,6-7H,2,5,8-10H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid?
2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).