[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol

C16H22O2 — CID 174021702

IUPAC[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol
SMILESOC[C@H]1CC2(CCCC2)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H22O2/c17-12-14-11-16(8-4-5-9-16)18-15(14)10-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2/t14-,15-/m1/s1
InChIKeyQBRROWKAMNSLSU-HUUCEWRRSA-N
MW246.35 g/mol
LogP2.94
Rot. Bonds3

About [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol

[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol (PubChem CID 174021702) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol
PubChem CID174021702
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol
SMILESOC[C@H]1CC2(CCCC2)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H22O2/c17-12-14-11-16(8-4-5-9-16)18-15(14)10-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2/t14-,15-/m1/s1
InChIKeyQBRROWKAMNSLSU-HUUCEWRRSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol?
The IUPAC name of [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol (CID 174021702) is [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol.
What is the SMILES notation for [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol?
The canonical SMILES for [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol is OC[C@H]1CC2(CCCC2)O[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol?
The InChIKey is QBRROWKAMNSLSU-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22O2/c17-12-14-11-16(8-4-5-9-16)18-15(14)10-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2/t14-,15-/m1/s1.
What are the key properties of [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol?
[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol is sourced from PubChem (CID 174021702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).