[(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol

C15H20O2 — CID 67856591

IUPAC[(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol
SMILESOC[C@]12CC[C@H](C[C@H]1CCc1ccccc1)O2
InChIInChI=1S/C15H20O2/c16-11-15-9-8-14(17-15)10-13(15)7-6-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/t13-,14-,15-/m1/s1
InChIKeyLUGWPUKOTIQMBB-RBSFLKMASA-N
MW232.32 g/mol
LogP2.55
Rot. Bonds4

About [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol

[(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol (PubChem CID 67856591) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol.

Molecular Properties

Compound Name[(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol
PubChem CID67856591
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol
SMILESOC[C@]12CC[C@H](C[C@H]1CCc1ccccc1)O2
InChIInChI=1S/C15H20O2/c16-11-15-9-8-14(17-15)10-13(15)7-6-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/t13-,14-,15-/m1/s1
InChIKeyLUGWPUKOTIQMBB-RBSFLKMASA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol?
The IUPAC name of [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol (CID 67856591) is [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol.
What is the SMILES notation for [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol?
The canonical SMILES for [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol is OC[C@]12CC[C@H](C[C@H]1CCc1ccccc1)O2.
What is the InChIKey of [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol?
The InChIKey is LUGWPUKOTIQMBB-RBSFLKMASA-N. The full InChI is InChI=1S/C15H20O2/c16-11-15-9-8-14(17-15)10-13(15)7-6-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/t13-,14-,15-/m1/s1.
What are the key properties of [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol?
[(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol has a molecular weight of 232.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol is sourced from PubChem (CID 67856591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).