[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol

C9H16O2 — CID 12892870

IUPAC[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1CO
InChIInChI=1S/C9H16O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-11H,1-5H2/t6-,7+,8+,9-
InChIKeyYSVZGWAJIHWNQK-OJOKCITNSA-N
MW156.22 g/mol
LogP0.63
Rot. Bonds2

About [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol

[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 12892870) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID12892870
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1CO
InChIInChI=1S/C9H16O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-11H,1-5H2/t6-,7+,8+,9-
InChIKeyYSVZGWAJIHWNQK-OJOKCITNSA-N
XLogP0.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol (CID 12892870) is [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol is OC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1CO.
What is the InChIKey of [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is YSVZGWAJIHWNQK-OJOKCITNSA-N. The full InChI is InChI=1S/C9H16O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-11H,1-5H2/t6-,7+,8+,9-.
What are the key properties of [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 156.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 12892870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).