2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol

C16H22BrFO — CID 65390212

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H22BrFO/c1-16(2)7-5-12(6-8-16)15(19)10-11-3-4-14(18)13(17)9-11/h3-4,9,12,15,19H,5-8,10H2,1-2H3
InChIKeyYVCFFDIZVMYEAT-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.71
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol

2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol (PubChem CID 65390212) has the molecular formula C16H22BrFO and a molecular weight of 329.25 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
PubChem CID65390212
Molecular FormulaC16H22BrFO
Molecular Weight329.25 g/mol
Exact Mass328.08
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H22BrFO/c1-16(2)7-5-12(6-8-16)15(19)10-11-3-4-14(18)13(17)9-11/h3-4,9,12,15,19H,5-8,10H2,1-2H3
InChIKeyYVCFFDIZVMYEAT-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
1-[2-(3-bromo-4-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451976
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066042
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65422980
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol (CID 65390212) is 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol is CC1(C)CCC(C(O)Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The InChIKey is YVCFFDIZVMYEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFO/c1-16(2)7-5-12(6-8-16)15(19)10-11-3-4-14(18)13(17)9-11/h3-4,9,12,15,19H,5-8,10H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol has a molecular weight of 329.25 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 65390212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).