[(1S,2R)-2-chlorocyclopropyl]methanol

C4H7ClO — CID 11309485

IUPAC[(1S,2R)-2-chlorocyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Cl
InChIInChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3-,4+/m0/s1
InChIKeyFXUQPSPDDULYHZ-IUYQGCFVSA-N
MW106.55 g/mol
LogP0.61
Rot. Bonds1

About [(1S,2R)-2-chlorocyclopropyl]methanol

[(1S,2R)-2-chlorocyclopropyl]methanol (PubChem CID 11309485) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is [(1S,2R)-2-chlorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-chlorocyclopropyl]methanol
PubChem CID11309485
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name[(1S,2R)-2-chlorocyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Cl
InChIInChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3-,4+/m0/s1
InChIKeyFXUQPSPDDULYHZ-IUYQGCFVSA-N
XLogP0.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 50.61
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,2R)-2-chlorocyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-chlorocyclopropyl]methanol (CID 11309485) is [(1S,2R)-2-chlorocyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-chlorocyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-chlorocyclopropyl]methanol is OC[C@@H]1C[C@H]1Cl.
What is the InChIKey of [(1S,2R)-2-chlorocyclopropyl]methanol?
The InChIKey is FXUQPSPDDULYHZ-IUYQGCFVSA-N. The full InChI is InChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3-,4+/m0/s1.
What are the key properties of [(1S,2R)-2-chlorocyclopropyl]methanol?
[(1S,2R)-2-chlorocyclopropyl]methanol has a molecular weight of 106.55 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-chlorocyclopropyl]methanol is sourced from PubChem (CID 11309485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).