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

C13H19BrOS — CID 62608065

IUPAC2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C13H19BrOS/c1-9-2-4-10(5-3-9)13(15)7-12-6-11(14)8-16-12/h6,8-10,13,15H,2-5,7H2,1H3
InChIKeyTUQSKAOAPMXFBV-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.24
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol (PubChem CID 62608065) has the molecular formula C13H19BrOS and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
PubChem CID62608065
Molecular FormulaC13H19BrOS
Molecular Weight303.26 g/mol
Exact Mass302.03
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C13H19BrOS/c1-9-2-4-10(5-3-9)13(15)7-12-6-11(14)8-16-12/h6,8-10,13,15H,2-5,7H2,1H3
InChIKeyTUQSKAOAPMXFBV-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514
2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192192
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642567
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
CID 112570643
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424657

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol (CID 62608065) is 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol is CC1CCC(C(O)Cc2cc(Br)cs2)CC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol?
The InChIKey is TUQSKAOAPMXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-9-2-4-10(5-3-9)13(15)7-12-6-11(14)8-16-12/h6,8-10,13,15H,2-5,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol has a molecular weight of 303.26 g/mol, XLogP of 4.24, 3 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-methylcyclohexyl)ethanol is sourced from PubChem (CID 62608065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).