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

C8H14O — CID 12534280

IUPAC[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOC[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2/t6-,7+,8-/m0/s1
InChIKeyLWHKUVOYICRGGR-RNJXMRFFSA-N
MW126.20 g/mol
LogP1.41
Rot. Bonds1

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

[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 12534280) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID12534280
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOC[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2/t6-,7+,8-/m0/s1
InChIKeyLWHKUVOYICRGGR-RNJXMRFFSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol (CID 12534280) is [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol is OC[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is LWHKUVOYICRGGR-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2/t6-,7+,8-/m0/s1.
What are the key properties of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol?
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 126.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 12534280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).