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

C13H18O2 — CID 79558054

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol
SMILESOC(CC1CC2CCC1C2)c1ccoc1
InChIInChI=1S/C13H18O2/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
InChIKeyBRUHZHLCUBWJFJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds3

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

2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol (PubChem CID 79558054) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol
PubChem CID79558054
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol
SMILESOC(CC1CC2CCC1C2)c1ccoc1
InChIInChI=1S/C13H18O2/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
InChIKeyBRUHZHLCUBWJFJ-UHFFFAOYSA-N
XLogP3.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol (CID 79558054) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol is OC(CC1CC2CCC1C2)c1ccoc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol?
The InChIKey is BRUHZHLCUBWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/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-(furan-3-yl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol has a molecular weight of 206.28 g/mol, XLogP of 3.14, 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-(furan-3-yl)ethanol is sourced from PubChem (CID 79558054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).