[(1R,2R)-2-(chloromethyl)cyclopropyl]methanol

C5H9ClO — CID 10558614

IUPAC[(1R,2R)-2-(chloromethyl)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1CCl
InChIInChI=1S/C5H9ClO/c6-2-4-1-5(4)3-7/h4-5,7H,1-3H2/t4-,5-/m0/s1
InChIKeyUATPGOGQQYHTRZ-WHFBIAKZSA-N
MW120.58 g/mol
LogP0.85
Rot. Bonds2

About [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol

[(1R,2R)-2-(chloromethyl)cyclopropyl]methanol (PubChem CID 10558614) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(chloromethyl)cyclopropyl]methanol
PubChem CID10558614
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name[(1R,2R)-2-(chloromethyl)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1CCl
InChIInChI=1S/C5H9ClO/c6-2-4-1-5(4)3-7/h4-5,7H,1-3H2/t4-,5-/m0/s1
InChIKeyUATPGOGQQYHTRZ-WHFBIAKZSA-N
XLogP0.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 50.85
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 [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol (CID 10558614) is [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol is OC[C@@H]1C[C@H]1CCl.
What is the InChIKey of [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol?
The InChIKey is UATPGOGQQYHTRZ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H9ClO/c6-2-4-1-5(4)3-7/h4-5,7H,1-3H2/t4-,5-/m0/s1.
What are the key properties of [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol?
[(1R,2R)-2-(chloromethyl)cyclopropyl]methanol has a molecular weight of 120.58 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(chloromethyl)cyclopropyl]methanol is sourced from PubChem (CID 10558614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).