[3-(bromomethyl)cyclobutyl]methanol

C6H11BrO — CID 155920804

IUPAC[3-(bromomethyl)cyclobutyl]methanol
SMILESOCC1CC(CBr)C1
InChIInChI=1S/C6H11BrO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4H2
InChIKeyMBXSBKKVKVQIAQ-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.40
Rot. Bonds2

About [3-(bromomethyl)cyclobutyl]methanol

[3-(bromomethyl)cyclobutyl]methanol (PubChem CID 155920804) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is [3-(bromomethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-(bromomethyl)cyclobutyl]methanol
PubChem CID155920804
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name[3-(bromomethyl)cyclobutyl]methanol
SMILESOCC1CC(CBr)C1
InChIInChI=1S/C6H11BrO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4H2
InChIKeyMBXSBKKVKVQIAQ-UHFFFAOYSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.40
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 [3-(bromomethyl)cyclobutyl]methanol?
The IUPAC name of [3-(bromomethyl)cyclobutyl]methanol (CID 155920804) is [3-(bromomethyl)cyclobutyl]methanol.
What is the SMILES notation for [3-(bromomethyl)cyclobutyl]methanol?
The canonical SMILES for [3-(bromomethyl)cyclobutyl]methanol is OCC1CC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)cyclobutyl]methanol?
The InChIKey is MBXSBKKVKVQIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4H2.
What are the key properties of [3-(bromomethyl)cyclobutyl]methanol?
[3-(bromomethyl)cyclobutyl]methanol has a molecular weight of 179.06 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)cyclobutyl]methanol is sourced from PubChem (CID 155920804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).