1-(2-bicyclo[2.2.2]octanyl)propan-1-ol

C11H20O — CID 130126580

IUPAC1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
SMILESCCC(O)C1CC2CCC1CC2
InChIInChI=1S/C11H20O/c1-2-11(12)10-7-8-3-5-9(10)6-4-8/h8-12H,2-7H2,1H3
InChIKeyWSYQSOUBDGDSNV-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds2

About 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol

1-(2-bicyclo[2.2.2]octanyl)propan-1-ol (PubChem CID 130126580) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
PubChem CID130126580
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
SMILESCCC(O)C1CC2CCC1CC2
InChIInChI=1S/C11H20O/c1-2-11(12)10-7-8-3-5-9(10)6-4-8/h8-12H,2-7H2,1H3
InChIKeyWSYQSOUBDGDSNV-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol 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

1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
CID 121456482
2-pentan-3-ylbicyclo[3.2.1]octane
CID 90865364
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-1-ol
CID 114855056
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[2-(methylamino)cyclopropyl]propan-1-ol
CID 158498138
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
CID 63017843
1-(2-prop-1-en-2-ylcyclopropyl)propan-1-ol
CID 73094340
(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
CID 159001079
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 124526679
1-(2-bicyclo[2.2.2]octanyl)-N-ethylprop-2-yn-1-amine
CID 131160154
(2R)-2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 98119446

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol?
The IUPAC name of 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol (CID 130126580) is 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol is CCC(O)C1CC2CCC1CC2.
What is the InChIKey of 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol?
The InChIKey is WSYQSOUBDGDSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-11(12)10-7-8-3-5-9(10)6-4-8/h8-12H,2-7H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol?
1-(2-bicyclo[2.2.2]octanyl)propan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.2]octanyl)propan-1-ol is sourced from PubChem (CID 130126580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).