[1-(bromomethyl)cyclopropyl]methanol

C5H9BrO — CID 12920384

IUPAC[1-(bromomethyl)cyclopropyl]methanol
SMILESOCC1(CBr)CC1
InChIInChI=1S/C5H9BrO/c6-3-5(4-7)1-2-5/h7H,1-4H2
InChIKeyWMPRZXWMUYZLDP-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.15
Rot. Bonds2

About [1-(bromomethyl)cyclopropyl]methanol

[1-(bromomethyl)cyclopropyl]methanol (PubChem CID 12920384) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is [1-(bromomethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(bromomethyl)cyclopropyl]methanol
PubChem CID12920384
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name[1-(bromomethyl)cyclopropyl]methanol
SMILESOCC1(CBr)CC1
InChIInChI=1S/C5H9BrO/c6-3-5(4-7)1-2-5/h7H,1-4H2
InChIKeyWMPRZXWMUYZLDP-UHFFFAOYSA-N
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.15
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-(bromomethyl)cyclopropyl]methanol?
The IUPAC name of [1-(bromomethyl)cyclopropyl]methanol (CID 12920384) is [1-(bromomethyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(bromomethyl)cyclopropyl]methanol?
The canonical SMILES for [1-(bromomethyl)cyclopropyl]methanol is OCC1(CBr)CC1.
What is the InChIKey of [1-(bromomethyl)cyclopropyl]methanol?
The InChIKey is WMPRZXWMUYZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c6-3-5(4-7)1-2-5/h7H,1-4H2.
What are the key properties of [1-(bromomethyl)cyclopropyl]methanol?
[1-(bromomethyl)cyclopropyl]methanol has a molecular weight of 165.03 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(bromomethyl)cyclopropyl]methanol is sourced from PubChem (CID 12920384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).