2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol

C14H21BrOS — CID 65393514

IUPAC2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C14H21BrOS/c1-2-10-3-5-11(6-4-10)14(16)8-13-7-12(15)9-17-13/h7,9-11,14,16H,2-6,8H2,1H3
InChIKeySJODXLONTLTGMX-UHFFFAOYSA-N
MW317.29 g/mol
LogP4.63
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol

2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol (PubChem CID 65393514) has the molecular formula C14H21BrOS and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
PubChem CID65393514
Molecular FormulaC14H21BrOS
Molecular Weight317.29 g/mol
Exact Mass316.05
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C14H21BrOS/c1-2-10-3-5-11(6-4-10)14(16)8-13-7-12(15)9-17-13/h7,9-11,14,16H,2-6,8H2,1H3
InChIKeySJODXLONTLTGMX-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
CID 62608065
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
CID 65412607
2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192192
2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)ethanol
CID 64776027
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171
2-[(4-bromothiophen-2-yl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 81020480
2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 65423327
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
1-[(4-bromothiophen-2-yl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65394122
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol (CID 65393514) is 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol is CCC1CCC(C(O)Cc2cc(Br)cs2)CC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol?
The InChIKey is SJODXLONTLTGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrOS/c1-2-10-3-5-11(6-4-10)14(16)8-13-7-12(15)9-17-13/h7,9-11,14,16H,2-6,8H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol has a molecular weight of 317.29 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol is sourced from PubChem (CID 65393514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).