2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol

C13H16BrFO2 — CID 116710611

IUPAC2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C13H16BrFO2/c1-17-13(5-2-6-13)12(16)7-9-3-4-10(14)8-11(9)15/h3-4,8,12,16H,2,5-7H2,1H3
InChIKeyCKRQTUXCSWVLDC-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol (PubChem CID 116710611) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
PubChem CID116710611
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C13H16BrFO2/c1-17-13(5-2-6-13)12(16)7-9-3-4-10(14)8-11(9)15/h3-4,8,12,16H,2,5-7H2,1H3
InChIKeyCKRQTUXCSWVLDC-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

Analyze 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)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-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755725
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116707049
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
CID 116710912

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol (CID 116710611) is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol is COC1(C(O)Cc2ccc(Br)cc2F)CCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
The InChIKey is CKRQTUXCSWVLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c1-17-13(5-2-6-13)12(16)7-9-3-4-10(14)8-11(9)15/h3-4,8,12,16H,2,5-7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol?
2-(4-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-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 116710611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).