[(1S,2S)-2-bromocyclopropyl]methanol

C4H7BrO — CID 124629911

IUPAC[(1S,2S)-2-bromocyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1Br
InChIInChI=1S/C4H7BrO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3-,4-/m0/s1
InChIKeySOUNJUAOSVUXMT-IMJSIDKUSA-N
MW151.00 g/mol
LogP0.76
Rot. Bonds1

About [(1S,2S)-2-bromocyclopropyl]methanol

[(1S,2S)-2-bromocyclopropyl]methanol (PubChem CID 124629911) has the molecular formula C4H7BrO and a molecular weight of 151.00 g/mol. Its IUPAC name is [(1S,2S)-2-bromocyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-bromocyclopropyl]methanol
PubChem CID124629911
Molecular FormulaC4H7BrO
Molecular Weight151.00 g/mol
Exact Mass149.97
IUPAC Name[(1S,2S)-2-bromocyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1Br
InChIInChI=1S/C4H7BrO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3-,4-/m0/s1
InChIKeySOUNJUAOSVUXMT-IMJSIDKUSA-N
XLogP0.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.00
LogP ≤ 50.76
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-bromocyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-bromocyclopropyl]methanol (CID 124629911) is [(1S,2S)-2-bromocyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-bromocyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-bromocyclopropyl]methanol is OC[C@@H]1C[C@@H]1Br.
What is the InChIKey of [(1S,2S)-2-bromocyclopropyl]methanol?
The InChIKey is SOUNJUAOSVUXMT-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H7BrO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3-,4-/m0/s1.
What are the key properties of [(1S,2S)-2-bromocyclopropyl]methanol?
[(1S,2S)-2-bromocyclopropyl]methanol has a molecular weight of 151.00 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-bromocyclopropyl]methanol is sourced from PubChem (CID 124629911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).