2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol

C15H20BrFO3 — CID 116754232

IUPAC2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2Br)CCOCC1
InChIInChI=1S/C15H20BrFO3/c1-2-20-15(6-8-19-9-7-15)13(18)10-11-4-3-5-12(17)14(11)16/h3-5,13,18H,2,6-10H2,1H3
InChIKeyGBLBBPINCVRLJM-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol

2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol (PubChem CID 116754232) has the molecular formula C15H20BrFO3 and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
PubChem CID116754232
Molecular FormulaC15H20BrFO3
Molecular Weight347.22 g/mol
Exact Mass346.06
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2Br)CCOCC1
InChIInChI=1S/C15H20BrFO3/c1-2-20-15(6-8-19-9-7-15)13(18)10-11-4-3-5-12(17)14(11)16/h3-5,13,18H,2,6-10H2,1H3
InChIKeyGBLBBPINCVRLJM-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol (CID 116754232) is 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol is CCOC1(C(O)Cc2cccc(F)c2Br)CCOCC1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The InChIKey is GBLBBPINCVRLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO3/c1-2-20-15(6-8-19-9-7-15)13(18)10-11-4-3-5-12(17)14(11)16/h3-5,13,18H,2,6-10H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol has a molecular weight of 347.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116754232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).