(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol

C13H16BrFO — CID 97027176

IUPAC(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
SMILESO[C@@H](c1ccc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C13H16BrFO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2/t13-/m1/s1
InChIKeyZEMIKZISKUASGA-CYBMUJFWSA-N
MW287.17 g/mol
LogP4.20
Rot. Bonds2

About (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol

(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol (PubChem CID 97027176) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol.

Molecular Properties

Compound Name(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
PubChem CID97027176
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
SMILESO[C@@H](c1ccc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C13H16BrFO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2/t13-/m1/s1
InChIKeyZEMIKZISKUASGA-CYBMUJFWSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
4-bromo-2-[cyclohexyl(hydroxy)methyl]phenol
CID 54143973
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
CID 54894057
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol?
The IUPAC name of (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol (CID 97027176) is (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol.
What is the SMILES notation for (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol?
The canonical SMILES for (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol is O[C@@H](c1ccc(Br)cc1F)C1CCCCC1.
What is the InChIKey of (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol?
The InChIKey is ZEMIKZISKUASGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16BrFO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2/t13-/m1/s1.
What are the key properties of (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol?
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol has a molecular weight of 287.17 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol is sourced from PubChem (CID 97027176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).