2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol

C13H16BrFO2 — CID 116710491

IUPAC2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
SMILESCOC1(C(O)Cc2cc(Br)ccc2F)CCC1
InChIInChI=1S/C13H16BrFO2/c1-17-13(5-2-6-13)12(16)8-9-7-10(14)3-4-11(9)15/h3-4,7,12,16H,2,5-6,8H2,1H3
InChIKeyWLDJZKJQXXWOGW-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.06
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol (PubChem CID 116710491) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
PubChem CID116710491
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
SMILESCOC1(C(O)Cc2cc(Br)ccc2F)CCC1
InChIInChI=1S/C13H16BrFO2/c1-17-13(5-2-6-13)12(16)8-9-7-10(14)3-4-11(9)15/h3-4,7,12,16H,2,5-6,8H2,1H3
InChIKeyWLDJZKJQXXWOGW-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755725
1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559180
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762133
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol (CID 116710491) is 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol is COC1(C(O)Cc2cc(Br)ccc2F)CCC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
The InChIKey is WLDJZKJQXXWOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c1-17-13(5-2-6-13)12(16)8-9-7-10(14)3-4-11(9)15/h3-4,7,12,16H,2,5-6,8H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol has a molecular weight of 303.17 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 116710491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).