1-(2-adamantyl)-2-thiophen-2-ylethanol

C16H22OS — CID 81095479

IUPAC1-(2-adamantyl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H22OS/c17-15(9-14-2-1-3-18-14)16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,15-17H,4-9H2
InChIKeyNOFCRRANJAIRKV-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.72
Rot. Bonds3

About 1-(2-adamantyl)-2-thiophen-2-ylethanol

1-(2-adamantyl)-2-thiophen-2-ylethanol (PubChem CID 81095479) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2-adamantyl)-2-thiophen-2-ylethanol
PubChem CID81095479
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name1-(2-adamantyl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H22OS/c17-15(9-14-2-1-3-18-14)16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,15-17H,4-9H2
InChIKeyNOFCRRANJAIRKV-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-adamantyl)-2-chloroethyl]thiophene
CID 81095706
(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol
CID 101201704
2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 65159331
1-[(3R)-pyrrolidin-3-yl]-2-thiophen-2-ylethanol
CID 164654563
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63420269
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
CID 61078130
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(2-adamantyl)-2-thiophen-2-ylethanol (CID 81095479) is 1-(2-adamantyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2-adamantyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(2-adamantyl)-2-thiophen-2-ylethanol is OC(Cc1cccs1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-2-thiophen-2-ylethanol?
The InChIKey is NOFCRRANJAIRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c17-15(9-14-2-1-3-18-14)16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,15-17H,4-9H2.
What are the key properties of 1-(2-adamantyl)-2-thiophen-2-ylethanol?
1-(2-adamantyl)-2-thiophen-2-ylethanol has a molecular weight of 262.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 81095479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).