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

C12H13BrO3 — CID 103272356

IUPAC2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H13BrO3/c13-9-2-4-10(5-3-9)16-12(6-1-7-12)8-11(14)15/h2-5H,1,6-8H2,(H,14,15)
InChIKeyAHBKLONPYUPOMM-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.23
Rot. Bonds4

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

2-[1-(4-bromophenoxy)cyclobutyl]acetic acid (PubChem CID 103272356) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
PubChem CID103272356
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H13BrO3/c13-9-2-4-10(5-3-9)16-12(6-1-7-12)8-11(14)15/h2-5H,1,6-8H2,(H,14,15)
InChIKeyAHBKLONPYUPOMM-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392
2-[1-(2,4-dibromophenoxy)cyclobutyl]acetic acid
CID 103272583
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]acetic acid
CID 107722332
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
CID 103272594
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-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
CID 103272592
2-[1-(3-fluoro-5-formylphenoxy)cyclobutyl]acetic acid
CID 103272881
2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide
CID 166393856
2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
CID 107140663
2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
CID 103272405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid (CID 103272356) is 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid is O=C(O)CC1(Oc2ccc(Br)cc2)CCC1.
What is the InChIKey of 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid?
The InChIKey is AHBKLONPYUPOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c13-9-2-4-10(5-3-9)16-12(6-1-7-12)8-11(14)15/h2-5H,1,6-8H2,(H,14,15).
What are the key properties of 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid?
2-[1-(4-bromophenoxy)cyclobutyl]acetic acid has a molecular weight of 285.14 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).