2-bromo-1-(4-cyclohexylphenyl)ethanol

C14H19BrO — CID 116863188

IUPAC2-bromo-1-(4-cyclohexylphenyl)ethanol
SMILESOC(CBr)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2
InChIKeyCQSMGHJXDAZVHZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.16
Rot. Bonds3

About 2-bromo-1-(4-cyclohexylphenyl)ethanol

2-bromo-1-(4-cyclohexylphenyl)ethanol (PubChem CID 116863188) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-bromo-1-(4-cyclohexylphenyl)ethanol.

Molecular Properties

Compound Name2-bromo-1-(4-cyclohexylphenyl)ethanol
PubChem CID116863188
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name2-bromo-1-(4-cyclohexylphenyl)ethanol
SMILESOC(CBr)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2
InChIKeyCQSMGHJXDAZVHZ-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
2-aminooxy-1-(4-cyclohexylphenyl)ethanol
CID 82116649
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82217099
3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol
CID 142229088
(4-cyclohexylphenyl)-(4-iodophenyl)methanol
CID 63427013
6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide
CID 23503080
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-cyclohexylphenyl)ethanol?
The IUPAC name of 2-bromo-1-(4-cyclohexylphenyl)ethanol (CID 116863188) is 2-bromo-1-(4-cyclohexylphenyl)ethanol.
What is the SMILES notation for 2-bromo-1-(4-cyclohexylphenyl)ethanol?
The canonical SMILES for 2-bromo-1-(4-cyclohexylphenyl)ethanol is OC(CBr)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-bromo-1-(4-cyclohexylphenyl)ethanol?
The InChIKey is CQSMGHJXDAZVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2.
What are the key properties of 2-bromo-1-(4-cyclohexylphenyl)ethanol?
2-bromo-1-(4-cyclohexylphenyl)ethanol has a molecular weight of 283.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-cyclohexylphenyl)ethanol is sourced from PubChem (CID 116863188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).