2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol

C16H22BrFO — CID 65395171

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H22BrFO/c1-2-11-3-6-13(7-4-11)16(19)10-12-5-8-15(18)14(17)9-12/h5,8-9,11,13,16,19H,2-4,6-7,10H2,1H3
InChIKeyRHHHRLHOUZMYFG-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.71
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol

2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol (PubChem CID 65395171) 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-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
PubChem CID65395171
Molecular FormulaC16H22BrFO
Molecular Weight329.25 g/mol
Exact Mass328.08
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H22BrFO/c1-2-11-3-6-13(7-4-11)16(19)10-12-5-8-15(18)14(17)9-12/h5,8-9,11,13,16,19H,2-4,6-7,10H2,1H3
InChIKeyRHHHRLHOUZMYFG-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65395381
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)ethanol
CID 64776027
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
CID 65400931
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylcyclopentyl)ethanol
CID 65409563

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol (CID 65395171) is 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol is CCC1CCC(C(O)Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol?
The InChIKey is RHHHRLHOUZMYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFO/c1-2-11-3-6-13(7-4-11)16(19)10-12-5-8-15(18)14(17)9-12/h5,8-9,11,13,16,19H,2-4,6-7,10H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol has a molecular weight of 329.25 g/mol, XLogP of 4.71, 4 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-ethylcyclohexyl)ethanol is sourced from PubChem (CID 65395171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).