(2-bromo-1-methylcyclopropyl)methanol

C5H9BrO — CID 12502936

IUPAC(2-bromo-1-methylcyclopropyl)methanol
SMILESCC1(CO)CC1Br
InChIInChI=1S/C5H9BrO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3
InChIKeyXPVIADXMRUCZDP-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.15
Rot. Bonds1

About (2-bromo-1-methylcyclopropyl)methanol

(2-bromo-1-methylcyclopropyl)methanol (PubChem CID 12502936) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is (2-bromo-1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-bromo-1-methylcyclopropyl)methanol
PubChem CID12502936
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name(2-bromo-1-methylcyclopropyl)methanol
SMILESCC1(CO)CC1Br
InChIInChI=1S/C5H9BrO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3
InChIKeyXPVIADXMRUCZDP-UHFFFAOYSA-N
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (2-bromo-1-methylcyclopropyl)methanol?
The IUPAC name of (2-bromo-1-methylcyclopropyl)methanol (CID 12502936) is (2-bromo-1-methylcyclopropyl)methanol.
What is the SMILES notation for (2-bromo-1-methylcyclopropyl)methanol?
The canonical SMILES for (2-bromo-1-methylcyclopropyl)methanol is CC1(CO)CC1Br.
What is the InChIKey of (2-bromo-1-methylcyclopropyl)methanol?
The InChIKey is XPVIADXMRUCZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of (2-bromo-1-methylcyclopropyl)methanol?
(2-bromo-1-methylcyclopropyl)methanol has a molecular weight of 165.03 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-methylcyclopropyl)methanol is sourced from PubChem (CID 12502936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).