[1-(chloromethyl)cyclopropyl]methanol

C5H9ClO — CID 12920386

IUPAC[1-(chloromethyl)cyclopropyl]methanol
SMILESOCC1(CCl)CC1
InChIInChI=1S/C5H9ClO/c6-3-5(4-7)1-2-5/h7H,1-4H2
InChIKeyJWNMDJYQTWTXOD-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.00
Rot. Bonds2

About [1-(chloromethyl)cyclopropyl]methanol

[1-(chloromethyl)cyclopropyl]methanol (PubChem CID 12920386) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is [1-(chloromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(chloromethyl)cyclopropyl]methanol
PubChem CID12920386
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name[1-(chloromethyl)cyclopropyl]methanol
SMILESOCC1(CCl)CC1
InChIInChI=1S/C5H9ClO/c6-3-5(4-7)1-2-5/h7H,1-4H2
InChIKeyJWNMDJYQTWTXOD-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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 [1-(chloromethyl)cyclopropyl]methanol?
The IUPAC name of [1-(chloromethyl)cyclopropyl]methanol (CID 12920386) is [1-(chloromethyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(chloromethyl)cyclopropyl]methanol?
The canonical SMILES for [1-(chloromethyl)cyclopropyl]methanol is OCC1(CCl)CC1.
What is the InChIKey of [1-(chloromethyl)cyclopropyl]methanol?
The InChIKey is JWNMDJYQTWTXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c6-3-5(4-7)1-2-5/h7H,1-4H2.
What are the key properties of [1-(chloromethyl)cyclopropyl]methanol?
[1-(chloromethyl)cyclopropyl]methanol has a molecular weight of 120.58 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(chloromethyl)cyclopropyl]methanol is sourced from PubChem (CID 12920386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).