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

C18H21BrOS — CID 63414703

IUPAC2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
SMILESOC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H21BrOS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10,16,20H,2,5-6,11-13H2
InChIKeyOCIKKIZQLOKQGC-UHFFFAOYSA-N
MW365.34 g/mol
LogP5.32
Rot. Bonds4

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

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol (PubChem CID 63414703) has the molecular formula C18H21BrOS and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
PubChem CID63414703
Molecular FormulaC18H21BrOS
Molecular Weight365.34 g/mol
Exact Mass364.05
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
SMILESOC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H21BrOS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10,16,20H,2,5-6,11-13H2
InChIKeyOCIKKIZQLOKQGC-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
CID 63414129
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-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
CID 63410287
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
2-(4-methylphenyl)-1-(1-phenylcyclopentyl)ethanol
CID 63414353
2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080727
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080555
2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080039
2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417719
2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150483

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol (CID 63414703) is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol is OC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol?
The InChIKey is OCIKKIZQLOKQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrOS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10,16,20H,2,5-6,11-13H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol has a molecular weight of 365.34 g/mol, XLogP of 5.32, 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-phenylcyclohexyl)ethanol is sourced from PubChem (CID 63414703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).