2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol

C17H24BrNO2 — CID 79058275

IUPAC2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C17H24BrNO2/c18-15-5-3-14(4-6-15)13-16(20)17(7-1-2-8-17)19-9-11-21-12-10-19/h3-6,16,20H,1-2,7-13H2
InChIKeyFKWQKJSPHIJCSE-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol

2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol (PubChem CID 79058275) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol
PubChem CID79058275
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C17H24BrNO2/c18-15-5-3-14(4-6-15)13-16(20)17(7-1-2-8-17)19-9-11-21-12-10-19/h3-6,16,20H,1-2,7-13H2
InChIKeyFKWQKJSPHIJCSE-UHFFFAOYSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol (CID 79058275) is 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol is OC(Cc1ccc(Br)cc1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol?
The InChIKey is FKWQKJSPHIJCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c18-15-5-3-14(4-6-15)13-16(20)17(7-1-2-8-17)19-9-11-21-12-10-19/h3-6,16,20H,1-2,7-13H2.
What are the key properties of 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol?
2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol has a molecular weight of 354.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol is sourced from PubChem (CID 79058275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).