(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol

C7H12O — CID 10855416

IUPAC(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyZQTYQMYDIHMKQB-DSYKOEDSSA-N
MW112.17 g/mol
LogP1.17
Rot. Bonds

About (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol

(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol (PubChem CID 10855416) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol
PubChem CID10855416
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyZQTYQMYDIHMKQB-DSYKOEDSSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol (CID 10855416) is (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol is O[C@@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol?
The InChIKey is ZQTYQMYDIHMKQB-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7-/m1/s1.
What are the key properties of (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol has a molecular weight of 112.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 10855416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).