1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol

C9H16O — CID 134975675

IUPAC1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESCC(O)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O/c1-6(10)9-5-7-2-3-8(9)4-7/h6-10H,2-5H2,1H3/t6?,7-,8+,9+/m0/s1
InChIKeyBTAZDKRYLLXTRA-GSLILNRNSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds1

About 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol

1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol (PubChem CID 134975675) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol.

Molecular Properties

Compound Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
PubChem CID134975675
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESCC(O)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O/c1-6(10)9-5-7-2-3-8(9)4-7/h6-10H,2-5H2,1H3/t6?,7-,8+,9+/m0/s1
InChIKeyBTAZDKRYLLXTRA-GSLILNRNSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol with MolForge

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Related Compounds

(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-(2-bicyclo[2.1.1]hexanyl)ethanol
CID 105427290
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
1-(2-bicyclo[2.2.1]heptanyl)prop-2-en-1-ol
CID 115814815
1-(2-cyclopropylcyclopropyl)ethanol
CID 130149488
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol
CID 130554280
3-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 130631730
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
The IUPAC name of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol (CID 134975675) is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol.
What is the SMILES notation for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
The canonical SMILES for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol is CC(O)[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
The InChIKey is BTAZDKRYLLXTRA-GSLILNRNSA-N. The full InChI is InChI=1S/C9H16O/c1-6(10)9-5-7-2-3-8(9)4-7/h6-10H,2-5H2,1H3/t6?,7-,8+,9+/m0/s1.
What are the key properties of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol is sourced from PubChem (CID 134975675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).