2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol

C17H24BrFO2 — CID 116755187

IUPAC2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2ccc(F)c(Br)c2)CCCC(C)C1
InChIInChI=1S/C17H24BrFO2/c1-3-21-17(8-4-5-12(2)11-17)16(20)10-13-6-7-15(19)14(18)9-13/h6-7,9,12,16,20H,3-5,8,10-11H2,1-2H3
InChIKeyYLJYTMXMFDTECD-UHFFFAOYSA-N
MW359.28 g/mol
LogP4.48
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol

2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol (PubChem CID 116755187) has the molecular formula C17H24BrFO2 and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
PubChem CID116755187
Molecular FormulaC17H24BrFO2
Molecular Weight359.28 g/mol
Exact Mass358.09
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2ccc(F)c(Br)c2)CCCC(C)C1
InChIInChI=1S/C17H24BrFO2/c1-3-21-17(8-4-5-12(2)11-17)16(20)10-13-6-7-15(19)14(18)9-13/h6-7,9,12,16,20H,3-5,8,10-11H2,1-2H3
InChIKeyYLJYTMXMFDTECD-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
1-[2-(3-bromo-4-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451976
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066042
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol (CID 116755187) is 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol is CCOC1(C(O)Cc2ccc(F)c(Br)c2)CCCC(C)C1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The InChIKey is YLJYTMXMFDTECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO2/c1-3-21-17(8-4-5-12(2)11-17)16(20)10-13-6-7-15(19)14(18)9-13/h6-7,9,12,16,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol has a molecular weight of 359.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol is sourced from PubChem (CID 116755187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).