2-(2-bromocyclohexyl)ethanol

C8H15BrO — CID 19359631

IUPAC2-(2-bromocyclohexyl)ethanol
SMILESOCCC1CCCCC1Br
InChIInChI=1S/C8H15BrO/c9-8-4-2-1-3-7(8)5-6-10/h7-8,10H,1-6H2
InChIKeyGMSOHJVBLPLDAQ-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-bromocyclohexyl)ethanol

2-(2-bromocyclohexyl)ethanol (PubChem CID 19359631) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-(2-bromocyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-bromocyclohexyl)ethanol
PubChem CID19359631
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name2-(2-bromocyclohexyl)ethanol
SMILESOCCC1CCCCC1Br
InChIInChI=1S/C8H15BrO/c9-8-4-2-1-3-7(8)5-6-10/h7-8,10H,1-6H2
InChIKeyGMSOHJVBLPLDAQ-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.32
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-(2-bromocyclohexyl)ethanol?
The IUPAC name of 2-(2-bromocyclohexyl)ethanol (CID 19359631) is 2-(2-bromocyclohexyl)ethanol.
What is the SMILES notation for 2-(2-bromocyclohexyl)ethanol?
The canonical SMILES for 2-(2-bromocyclohexyl)ethanol is OCCC1CCCCC1Br.
What is the InChIKey of 2-(2-bromocyclohexyl)ethanol?
The InChIKey is GMSOHJVBLPLDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c9-8-4-2-1-3-7(8)5-6-10/h7-8,10H,1-6H2.
What are the key properties of 2-(2-bromocyclohexyl)ethanol?
2-(2-bromocyclohexyl)ethanol has a molecular weight of 207.11 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclohexyl)ethanol is sourced from PubChem (CID 19359631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).