2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol

C14H18BrFO — CID 62605945

IUPAC2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
SMILESOC(Cc1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C14H18BrFO/c15-13-9-12(16)7-6-11(13)8-14(17)10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyGJFKNSSUHBNYLK-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol

2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol (PubChem CID 62605945) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
PubChem CID62605945
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
SMILESOC(Cc1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C14H18BrFO/c15-13-9-12(16)7-6-11(13)8-14(17)10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyGJFKNSSUHBNYLK-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid
CID 112569192
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
2-(2-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066492
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
2-(2-bromo-4-fluorophenyl)-1-(1,4-dithian-2-yl)ethanol
CID 79971539

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol (CID 62605945) is 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol is OC(Cc1ccc(F)cc1Br)C1CCCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol?
The InChIKey is GJFKNSSUHBNYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c15-13-9-12(16)7-6-11(13)8-14(17)10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol?
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol has a molecular weight of 301.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 62605945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).