2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol

C12H14BrClO — CID 131274787

IUPAC2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol
SMILESOC1CCCCC1(Br)c1ccccc1Cl
InChIInChI=1S/C12H14BrClO/c13-12(8-4-3-7-11(12)15)9-5-1-2-6-10(9)14/h1-2,5-6,11,15H,3-4,7-8H2
InChIKeyOZDHYLYJRGYGEB-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.87
Rot. Bonds1

About 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol

2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol (PubChem CID 131274787) has the molecular formula C12H14BrClO and a molecular weight of 289.60 g/mol. Its IUPAC name is 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol
PubChem CID131274787
Molecular FormulaC12H14BrClO
Molecular Weight289.60 g/mol
Exact Mass287.99
IUPAC Name2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol
SMILESOC1CCCCC1(Br)c1ccccc1Cl
InChIInChI=1S/C12H14BrClO/c13-12(8-4-3-7-11(12)15)9-5-1-2-6-10(9)14/h1-2,5-6,11,15H,3-4,7-8H2
InChIKeyOZDHYLYJRGYGEB-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.87
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-2-(2-chlorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol (CID 131274787) is 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol is OC1CCCCC1(Br)c1ccccc1Cl.
What is the InChIKey of 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol?
The InChIKey is OZDHYLYJRGYGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO/c13-12(8-4-3-7-11(12)15)9-5-1-2-6-10(9)14/h1-2,5-6,11,15H,3-4,7-8H2.
What are the key properties of 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol?
2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol has a molecular weight of 289.60 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 131274787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).