2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol

C12H20O — CID 79557935

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
SMILESOC(CC1CC2CCC1C2)C1CC1
InChIInChI=1S/C12H20O/c13-12(9-3-4-9)7-11-6-8-1-2-10(11)5-8/h8-13H,1-7H2
InChIKeyVCJASQNVHRWZIM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol (PubChem CID 79557935) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
PubChem CID79557935
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
SMILESOC(CC1CC2CCC1C2)C1CC1
InChIInChI=1S/C12H20O/c13-12(9-3-4-9)7-11-6-8-1-2-10(11)5-8/h8-13H,1-7H2
InChIKeyVCJASQNVHRWZIM-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115821257
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 113289694
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
2-(2-bicyclo[2.2.1]heptanyl)-1-(oxolan-2-yl)ethanol
CID 79558980
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
CID 112562649
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
CID 79558762
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol (CID 79557935) is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol is OC(CC1CC2CCC1C2)C1CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol?
The InChIKey is VCJASQNVHRWZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-12(9-3-4-9)7-11-6-8-1-2-10(11)5-8/h8-13H,1-7H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol has a molecular weight of 180.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol is sourced from PubChem (CID 79557935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).