2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol

C17H19BrOS — CID 63414129

IUPAC2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
SMILESOC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H19BrOS/c18-16-9-8-14(20-16)12-15(19)17(10-4-5-11-17)13-6-2-1-3-7-13/h1-3,6-9,15,19H,4-5,10-12H2
InChIKeyZJQDDJNUDYIQLP-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.93
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol (PubChem CID 63414129) has the molecular formula C17H19BrOS and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
PubChem CID63414129
Molecular FormulaC17H19BrOS
Molecular Weight351.31 g/mol
Exact Mass350.03
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
SMILESOC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H19BrOS/c18-16-9-8-14(20-16)12-15(19)17(10-4-5-11-17)13-6-2-1-3-7-13/h1-3,6-9,15,19H,4-5,10-12H2
InChIKeyZJQDDJNUDYIQLP-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
CID 63414703
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417582
1-[2-(5-bromothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451857
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
CID 63410287
2-(4-methylphenyl)-1-(1-phenylcyclopentyl)ethanol
CID 63414353
2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080727
2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080555
2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080039
2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150483
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33172291
2-(2,5-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63017736

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol (CID 63414129) is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol is OC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol?
The InChIKey is ZJQDDJNUDYIQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrOS/c18-16-9-8-14(20-16)12-15(19)17(10-4-5-11-17)13-6-2-1-3-7-13/h1-3,6-9,15,19H,4-5,10-12H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol has a molecular weight of 351.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol is sourced from PubChem (CID 63414129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).