2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid

C16H22O3 — CID 103272405

IUPAC2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
SMILESCCC(C)c1ccccc1OC1(CC(=O)O)CCC1
InChIInChI=1S/C16H22O3/c1-3-12(2)13-7-4-5-8-14(13)19-16(9-6-10-16)11-15(17)18/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,17,18)
InChIKeyJACCOTHWQUAULR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.98
Rot. Bonds6

About 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid

2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid (PubChem CID 103272405) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
PubChem CID103272405
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
SMILESCCC(C)c1ccccc1OC1(CC(=O)O)CCC1
InChIInChI=1S/C16H22O3/c1-3-12(2)13-7-4-5-8-14(13)19-16(9-6-10-16)11-15(17)18/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,17,18)
InChIKeyJACCOTHWQUAULR-UHFFFAOYSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
CID 103272592
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
CID 103272594
2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
CID 131934224
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
CID 103272356
4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol
CID 81041796
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
(2-butan-2-ylphenyl) 2,3-dihydroxypropanoate
CID 129186368
2-[1-(2,4-dibromophenoxy)cyclobutyl]acetic acid
CID 103272583

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid (CID 103272405) is 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid is CCC(C)c1ccccc1OC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid?
The InChIKey is JACCOTHWQUAULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-12(2)13-7-4-5-8-14(13)19-16(9-6-10-16)11-15(17)18/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid?
2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).