2-(3-bromocyclopentyl)benzoic acid

C12H13BrO2 — CID 151009009

IUPAC2-(3-bromocyclopentyl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCC(Br)C1
InChIInChI=1S/C12H13BrO2/c13-9-6-5-8(7-9)10-3-1-2-4-11(10)12(14)15/h1-4,8-9H,5-7H2,(H,14,15)
InChIKeyLVRQJUMPAQAFGH-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.42
Rot. Bonds2

About 2-(3-bromocyclopentyl)benzoic acid

2-(3-bromocyclopentyl)benzoic acid (PubChem CID 151009009) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(3-bromocyclopentyl)benzoic acid.

Molecular Properties

Compound Name2-(3-bromocyclopentyl)benzoic acid
PubChem CID151009009
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-(3-bromocyclopentyl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCC(Br)C1
InChIInChI=1S/C12H13BrO2/c13-9-6-5-8(7-9)10-3-1-2-4-11(10)12(14)15/h1-4,8-9H,5-7H2,(H,14,15)
InChIKeyLVRQJUMPAQAFGH-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromocyclopentyl)benzoic acid?
The IUPAC name of 2-(3-bromocyclopentyl)benzoic acid (CID 151009009) is 2-(3-bromocyclopentyl)benzoic acid.
What is the SMILES notation for 2-(3-bromocyclopentyl)benzoic acid?
The canonical SMILES for 2-(3-bromocyclopentyl)benzoic acid is O=C(O)c1ccccc1C1CCC(Br)C1.
What is the InChIKey of 2-(3-bromocyclopentyl)benzoic acid?
The InChIKey is LVRQJUMPAQAFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-9-6-5-8(7-9)10-3-1-2-4-11(10)12(14)15/h1-4,8-9H,5-7H2,(H,14,15).
What are the key properties of 2-(3-bromocyclopentyl)benzoic acid?
2-(3-bromocyclopentyl)benzoic acid has a molecular weight of 269.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromocyclopentyl)benzoic acid is sourced from PubChem (CID 151009009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).