(2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol

C13H16O2 — CID 15423628

IUPAC(2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol
SMILESCC(c1ccccc1)[C@@H]1CC(O)C=CO1
InChIInChI=1S/C13H16O2/c1-10(11-5-3-2-4-6-11)13-9-12(14)7-8-15-13/h2-8,10,12-14H,9H2,1H3/t10?,12?,13-/m0/s1
InChIKeyZAHIAPSTWSWYNF-GDKBPFBDSA-N
MW204.27 g/mol
LogP2.45
Rot. Bonds2

About (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol

(2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol (PubChem CID 15423628) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol
PubChem CID15423628
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol
SMILESCC(c1ccccc1)[C@@H]1CC(O)C=CO1
InChIInChI=1S/C13H16O2/c1-10(11-5-3-2-4-6-11)13-9-12(14)7-8-15-13/h2-8,10,12-14H,9H2,1H3/t10?,12?,13-/m0/s1
InChIKeyZAHIAPSTWSWYNF-GDKBPFBDSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol (CID 15423628) is (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol is CC(c1ccccc1)[C@@H]1CC(O)C=CO1.
What is the InChIKey of (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is ZAHIAPSTWSWYNF-GDKBPFBDSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(11-5-3-2-4-6-11)13-9-12(14)7-8-15-13/h2-8,10,12-14H,9H2,1H3/t10?,12?,13-/m0/s1.
What are the key properties of (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol?
(2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 204.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 15423628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).