(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol

C11H12O2 — CID 23245881

IUPAC(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=CCO[C@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-7,10-12H,8H2/t10-,11-/m0/s1
InChIKeyOZDORZBYBRIUET-QWRGUYRKSA-N
MW176.22 g/mol
LogP1.67
Rot. Bonds1

About (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol

(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 23245881) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID23245881
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=CCO[C@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-7,10-12H,8H2/t10-,11-/m0/s1
InChIKeyOZDORZBYBRIUET-QWRGUYRKSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol (CID 23245881) is (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol is O[C@H]1C=CCO[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is OZDORZBYBRIUET-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-7,10-12H,8H2/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol?
(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 176.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 23245881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).