1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid

C11H10BrClO2 — CID 117467914

IUPAC1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(Cl)cccc2Br)CCC1
InChIInChI=1S/C11H10BrClO2/c12-7-3-1-4-8(13)9(7)11(10(14)15)5-2-6-11/h1,3-4H,2,5-6H2,(H,14,15)
InChIKeyLSQLFBBWEYKZEJ-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.61
Rot. Bonds2

About 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid

1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid (PubChem CID 117467914) has the molecular formula C11H10BrClO2 and a molecular weight of 289.56 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
PubChem CID117467914
Molecular FormulaC11H10BrClO2
Molecular Weight289.56 g/mol
Exact Mass287.96
IUPAC Name1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(Cl)cccc2Br)CCC1
InChIInChI=1S/C11H10BrClO2/c12-7-3-1-4-8(13)9(7)11(10(14)15)5-2-6-11/h1,3-4H,2,5-6H2,(H,14,15)
InChIKeyLSQLFBBWEYKZEJ-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
1-(6-bromo-2,3-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117462709
1-(2-chloro-6-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117487595
1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117452732
5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008169
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117478644
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117395054
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclobutane-1-carboxylic acid
CID 117425099
1-(2-chloro-3,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 84799391

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid (CID 117467914) is 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2c(Cl)cccc2Br)CCC1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is LSQLFBBWEYKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO2/c12-7-3-1-4-8(13)9(7)11(10(14)15)5-2-6-11/h1,3-4H,2,5-6H2,(H,14,15).
What are the key properties of 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid?
1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 289.56 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117467914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).