(2S)-2-(oxan-2-yl)-2-phenylethanol

C13H18O2 — CID 101229942

IUPAC(2S)-2-(oxan-2-yl)-2-phenylethanol
SMILESOC[C@H](c1ccccc1)C1CCCCO1
InChIInChI=1S/C13H18O2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13?/m1/s1
InChIKeyXFWUVVWPGWUONL-PZORYLMUSA-N
MW206.29 g/mol
LogP2.33
Rot. Bonds3

About (2S)-2-(oxan-2-yl)-2-phenylethanol

(2S)-2-(oxan-2-yl)-2-phenylethanol (PubChem CID 101229942) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-(oxan-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(oxan-2-yl)-2-phenylethanol
PubChem CID101229942
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(2S)-2-(oxan-2-yl)-2-phenylethanol
SMILESOC[C@H](c1ccccc1)C1CCCCO1
InChIInChI=1S/C13H18O2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13?/m1/s1
InChIKeyXFWUVVWPGWUONL-PZORYLMUSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-2-yl)-2-phenylethanol?
The IUPAC name of (2S)-2-(oxan-2-yl)-2-phenylethanol (CID 101229942) is (2S)-2-(oxan-2-yl)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(oxan-2-yl)-2-phenylethanol?
The canonical SMILES for (2S)-2-(oxan-2-yl)-2-phenylethanol is OC[C@H](c1ccccc1)C1CCCCO1.
What is the InChIKey of (2S)-2-(oxan-2-yl)-2-phenylethanol?
The InChIKey is XFWUVVWPGWUONL-PZORYLMUSA-N. The full InChI is InChI=1S/C13H18O2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13?/m1/s1.
What are the key properties of (2S)-2-(oxan-2-yl)-2-phenylethanol?
(2S)-2-(oxan-2-yl)-2-phenylethanol has a molecular weight of 206.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-2-yl)-2-phenylethanol is sourced from PubChem (CID 101229942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).