2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol

C15H23BrOS — CID 65423327

IUPAC2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol
SMILESCCCC1CCC(C(O)Cc2ccc(Br)s2)CC1
InChIInChI=1S/C15H23BrOS/c1-2-3-11-4-6-12(7-5-11)14(17)10-13-8-9-15(16)18-13/h8-9,11-12,14,17H,2-7,10H2,1H3
InChIKeyDSJMNDQBAWLWHN-UHFFFAOYSA-N
MW331.32 g/mol
LogP5.02
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol

2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol (PubChem CID 65423327) has the molecular formula C15H23BrOS and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol
PubChem CID65423327
Molecular FormulaC15H23BrOS
Molecular Weight331.32 g/mol
Exact Mass330.07
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol
SMILESCCCC1CCC(C(O)Cc2ccc(Br)s2)CC1
InChIInChI=1S/C15H23BrOS/c1-2-3-11-4-6-12(7-5-11)14(17)10-13-8-9-15(16)18-13/h8-9,11-12,14,17H,2-7,10H2,1H3
InChIKeyDSJMNDQBAWLWHN-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanol
CID 65424111
2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336371
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
[2-(5-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233392
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propylcyclohexyl)ethanol
CID 65425263
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
[2-(5-bromothiophen-2-yl)-1-cyclopropylethyl]hydrazine
CID 105202339

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol (CID 65423327) is 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol is CCCC1CCC(C(O)Cc2ccc(Br)s2)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol?
The InChIKey is DSJMNDQBAWLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrOS/c1-2-3-11-4-6-12(7-5-11)14(17)10-13-8-9-15(16)18-13/h8-9,11-12,14,17H,2-7,10H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol has a molecular weight of 331.32 g/mol, XLogP of 5.02, 5 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-(4-propylcyclohexyl)ethanol is sourced from PubChem (CID 65423327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).