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

C14H18BrFO — CID 65401565

IUPAC2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCC1CCC(C(O)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H18BrFO/c1-9-2-4-11(6-9)14(17)8-10-3-5-13(16)12(15)7-10/h3,5,7,9,11,14,17H,2,4,6,8H2,1H3
InChIKeyOUXPIUNHPWYKBA-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.93
Rot. Bonds3

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

2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol (PubChem CID 65401565) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
PubChem CID65401565
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCC1CCC(C(O)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H18BrFO/c1-9-2-4-11(6-9)14(17)8-10-3-5-13(16)12(15)7-10/h3,5,7,9,11,14,17H,2,4,6,8H2,1H3
InChIKeyOUXPIUNHPWYKBA-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 115806040
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
N-[2-(3-bromo-4-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415531
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol (CID 65401565) is 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol is CC1CCC(C(O)Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol?
The InChIKey is OUXPIUNHPWYKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-9-2-4-11(6-9)14(17)8-10-3-5-13(16)12(15)7-10/h3,5,7,9,11,14,17H,2,4,6,8H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol has a molecular weight of 301.20 g/mol, XLogP of 3.93, 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-(3-methylcyclopentyl)ethanol is sourced from PubChem (CID 65401565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).