2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol

C14H20OS — CID 102842439

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
SMILESCc1sccc1C(O)CC1CC2CCC1C2
InChIInChI=1S/C14H20OS/c1-9-13(4-5-16-9)14(15)8-12-7-10-2-3-11(12)6-10/h4-5,10-12,14-15H,2-3,6-8H2,1H3
InChIKeyFPUFANAWNPOOQQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.92
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol (PubChem CID 102842439) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
PubChem CID102842439
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
SMILESCc1sccc1C(O)CC1CC2CCC1C2
InChIInChI=1S/C14H20OS/c1-9-13(4-5-16-9)14(15)8-12-7-10-2-3-11(12)6-10/h4-5,10-12,14-15H,2-3,6-8H2,1H3
InChIKeyFPUFANAWNPOOQQ-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 115807086
2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
CID 79559068
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790580
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115797029
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
CID 102831550
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 61087143
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methoxyphenyl)ethanol
CID 63428493
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-3,4-dimethoxyphenyl)ethanol
CID 79561405
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115821259
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethylthiophen-2-yl)ethyl]hydrazine
CID 105323494
2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol
CID 79558054
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
CID 66257446

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol (CID 102842439) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol is Cc1sccc1C(O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol?
The InChIKey is FPUFANAWNPOOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-9-13(4-5-16-9)14(15)8-12-7-10-2-3-11(12)6-10/h4-5,10-12,14-15H,2-3,6-8H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol has a molecular weight of 236.38 g/mol, XLogP of 3.92, 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-(2-methylthiophen-3-yl)ethanol is sourced from PubChem (CID 102842439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).