(2S,4S)-2-phenyloxan-4-ol

C11H14O2 — CID 67658519

IUPAC(2S,4S)-2-phenyloxan-4-ol
SMILESO[C@H]1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m0/s1
InChIKeyVPXLNWRTGPPGRS-QWRGUYRKSA-N
MW178.23 g/mol
LogP1.90
Rot. Bonds1

About (2S,4S)-2-phenyloxan-4-ol

(2S,4S)-2-phenyloxan-4-ol (PubChem CID 67658519) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2S,4S)-2-phenyloxan-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-phenyloxan-4-ol
PubChem CID67658519
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2S,4S)-2-phenyloxan-4-ol
SMILESO[C@H]1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m0/s1
InChIKeyVPXLNWRTGPPGRS-QWRGUYRKSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-phenyloxan-4-ol?
The IUPAC name of (2S,4S)-2-phenyloxan-4-ol (CID 67658519) is (2S,4S)-2-phenyloxan-4-ol.
What is the SMILES notation for (2S,4S)-2-phenyloxan-4-ol?
The canonical SMILES for (2S,4S)-2-phenyloxan-4-ol is O[C@H]1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (2S,4S)-2-phenyloxan-4-ol?
The InChIKey is VPXLNWRTGPPGRS-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-2-phenyloxan-4-ol?
(2S,4S)-2-phenyloxan-4-ol has a molecular weight of 178.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-phenyloxan-4-ol is sourced from PubChem (CID 67658519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).