2-(bromomethyl)cyclohexan-1-ol

C7H13BrO — CID 13077096

IUPAC2-(bromomethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CBr
InChIInChI=1S/C7H13BrO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5H2
InChIKeyFOOFFSRIPHRYFO-UHFFFAOYSA-N
MW193.08 g/mol
LogP1.93
Rot. Bonds1

About 2-(bromomethyl)cyclohexan-1-ol

2-(bromomethyl)cyclohexan-1-ol (PubChem CID 13077096) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 2-(bromomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(bromomethyl)cyclohexan-1-ol
PubChem CID13077096
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name2-(bromomethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CBr
InChIInChI=1S/C7H13BrO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5H2
InChIKeyFOOFFSRIPHRYFO-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 51.93
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-(bromomethyl)cyclohexan-1-ol?
The IUPAC name of 2-(bromomethyl)cyclohexan-1-ol (CID 13077096) is 2-(bromomethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(bromomethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(bromomethyl)cyclohexan-1-ol is OC1CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)cyclohexan-1-ol?
The InChIKey is FOOFFSRIPHRYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5H2.
What are the key properties of 2-(bromomethyl)cyclohexan-1-ol?
2-(bromomethyl)cyclohexan-1-ol has a molecular weight of 193.08 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)cyclohexan-1-ol is sourced from PubChem (CID 13077096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).