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

C17H24BrFO2 — CID 116756150

IUPAC2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2Br)CCCCCC1
InChIInChI=1S/C17H24BrFO2/c1-2-21-17(10-5-3-4-6-11-17)15(20)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,2-6,10-12H2,1H3
InChIKeyDAQLHFNQGVPEGI-UHFFFAOYSA-N
MW359.28 g/mol
LogP4.62
Rot. Bonds5

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

2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol (PubChem CID 116756150) has the molecular formula C17H24BrFO2 and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
PubChem CID116756150
Molecular FormulaC17H24BrFO2
Molecular Weight359.28 g/mol
Exact Mass358.09
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2Br)CCCCCC1
InChIInChI=1S/C17H24BrFO2/c1-2-21-17(10-5-3-4-6-11-17)15(20)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,2-6,10-12H2,1H3
InChIKeyDAQLHFNQGVPEGI-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754232
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 102618286
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753002
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol (CID 116756150) is 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol is CCOC1(C(O)Cc2cccc(F)c2Br)CCCCCC1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol?
The InChIKey is DAQLHFNQGVPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO2/c1-2-21-17(10-5-3-4-6-11-17)15(20)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,2-6,10-12H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol has a molecular weight of 359.28 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol is sourced from PubChem (CID 116756150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).