2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol

C13H18OS — CID 79559068

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
SMILESOC(CC1CC2CCC1C2)c1ccsc1
InChIInChI=1S/C13H18OS/c14-13(11-3-4-15-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-14H,1-2,5-7H2
InChIKeyDWZDPZAXOKROKB-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol (PubChem CID 79559068) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
PubChem CID79559068
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
SMILESOC(CC1CC2CCC1C2)c1ccsc1
InChIInChI=1S/C13H18OS/c14-13(11-3-4-15-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-14H,1-2,5-7H2
InChIKeyDWZDPZAXOKROKB-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol
CID 79558054
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
CID 102842439
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
CID 79559401
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 63688840
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
CID 66257446
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089139
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115797029
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 115807086
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817177
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790580

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol (CID 79559068) is 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol is OC(CC1CC2CCC1C2)c1ccsc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol?
The InChIKey is DWZDPZAXOKROKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-13(11-3-4-15-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-14H,1-2,5-7H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol has a molecular weight of 222.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 79559068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).