[(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol

C6H11BrO — CID 101162381

IUPAC[(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol
SMILESOC[C@H]1C[C@H]1CCBr
InChIInChI=1S/C6H11BrO/c7-2-1-5-3-6(5)4-8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyYWIUPHUHDBXHME-PHDIDXHHSA-N
MW179.06 g/mol
LogP1.40
Rot. Bonds3

About [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol

[(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol (PubChem CID 101162381) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol
PubChem CID101162381
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name[(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol
SMILESOC[C@H]1C[C@H]1CCBr
InChIInChI=1S/C6H11BrO/c7-2-1-5-3-6(5)4-8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyYWIUPHUHDBXHME-PHDIDXHHSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.40
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 [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol (CID 101162381) is [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol is OC[C@H]1C[C@H]1CCBr.
What is the InChIKey of [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol?
The InChIKey is YWIUPHUHDBXHME-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11BrO/c7-2-1-5-3-6(5)4-8/h5-6,8H,1-4H2/t5-,6-/m1/s1.
What are the key properties of [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol?
[(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol has a molecular weight of 179.06 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol is sourced from PubChem (CID 101162381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).