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

C14H18BrFO — CID 107192743

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
SMILESCC1CCCC1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C14H18BrFO/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(16)14(10)15/h3,5,7,9,11,13,17H,2,4,6,8H2,1H3
InChIKeyBMAJUJWOGHBRTJ-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.93
Rot. Bonds3

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

2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol (PubChem CID 107192743) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
PubChem CID107192743
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
SMILESCC1CCCC1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C14H18BrFO/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(16)14(10)15/h3,5,7,9,11,13,17H,2,4,6,8H2,1H3
InChIKeyBMAJUJWOGHBRTJ-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

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Related Compounds

1-(2-methylcyclopentyl)-2-(2-methylphenyl)ethanol
CID 107183436
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
CID 115826460
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanol
CID 115826409
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
2-(2,4-dichlorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192122
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol (CID 107192743) is 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol is CC1CCCC1C(O)Cc1cccc(F)c1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol?
The InChIKey is BMAJUJWOGHBRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(16)14(10)15/h3,5,7,9,11,13,17H,2,4,6,8H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(2-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-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol is sourced from PubChem (CID 107192743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).