[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol

C17H28OS — CID 66026292

IUPAC[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCc2ccsc2)CC1
InChIInChI=1S/C17H28OS/c1-2-3-4-15-5-9-17(14-18,10-6-15)11-7-16-8-12-19-13-16/h8,12-13,15,18H,2-7,9-11,14H2,1H3
InChIKeyHNEAGJFCIACMPX-UHFFFAOYSA-N
MW280.48 g/mol
LogP5.04
Rot. Bonds7

About [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol

[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol (PubChem CID 66026292) has the molecular formula C17H28OS and a molecular weight of 280.48 g/mol. Its IUPAC name is [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol
PubChem CID66026292
Molecular FormulaC17H28OS
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCc2ccsc2)CC1
InChIInChI=1S/C17H28OS/c1-2-3-4-15-5-9-17(14-18,10-6-15)11-7-16-8-12-19-13-16/h8,12-13,15,18H,2-7,9-11,14H2,1H3
InChIKeyHNEAGJFCIACMPX-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
CID 66026290
3-(2-cyclopropylethyl)thiophene
CID 159324839
3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
CID 63773916
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
(4-butyl-1-methylcyclohexyl)methanol
CID 66025172
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294
3-heptylthiophene;3-hexylthiophene
CID 159152668
[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol
CID 82870443
[1-[(5-bromo-3-pyridinyl)methyl]-4-butylcyclohexyl]methanol
CID 104813121
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol?
The IUPAC name of [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol (CID 66026292) is [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol?
The canonical SMILES for [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol is CCCCC1CCC(CO)(CCc2ccsc2)CC1.
What is the InChIKey of [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol?
The InChIKey is HNEAGJFCIACMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OS/c1-2-3-4-15-5-9-17(14-18,10-6-15)11-7-16-8-12-19-13-16/h8,12-13,15,18H,2-7,9-11,14H2,1H3.
What are the key properties of [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol?
[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol has a molecular weight of 280.48 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol is sourced from PubChem (CID 66026292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).