2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid

C11H10BrClO2 — CID 175668562

IUPAC2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C11H10BrClO2/c12-7-3-4-9(13)8(5-7)10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)
InChIKeyIUNQALNFYRELAN-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.68
Rot. Bonds3

About 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid

2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid (PubChem CID 175668562) has the molecular formula C11H10BrClO2 and a molecular weight of 289.56 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
PubChem CID175668562
Molecular FormulaC11H10BrClO2
Molecular Weight289.56 g/mol
Exact Mass287.96
IUPAC Name2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C11H10BrClO2/c12-7-3-4-9(13)8(5-7)10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)
InChIKeyIUNQALNFYRELAN-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
CID 175669167
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
CID 82664923
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
(2S)-2-(4-bromo-3-chlorophenyl)-2-cyclopentylacetic acid
CID 125466613
2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
CID 106987383
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
(S)-(5-bromo-2-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257309

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid (CID 175668562) is 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid is O=C(O)C(c1cc(Br)ccc1Cl)C1CC1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid?
The InChIKey is IUNQALNFYRELAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO2/c12-7-3-4-9(13)8(5-7)10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15).
What are the key properties of 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid?
2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid has a molecular weight of 289.56 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 175668562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).