(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol

C26H27NO2 — CID 71819538

IUPAC(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol
SMILESO[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/c2ccccn2)C1
InChIInChI=1S/C26H27NO2/c28-25(20-10-3-1-4-11-20)23-18-22(14-9-16-24-15-7-8-17-27-24)26(29-19-23)21-12-5-2-6-13-21/h1-13,15-17,22-23,25-26,28H,14,18-19H2/b16-9+/t22-,23+,25-,26+/m0/s1
InChIKeyOMMCHYWBQMADSL-MEIBSZKASA-N
MW385.51 g/mol
LogP5.61
Rot. Bonds6

About (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol

(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol (PubChem CID 71819538) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol
PubChem CID71819538
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol
SMILESO[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/c2ccccn2)C1
InChIInChI=1S/C26H27NO2/c28-25(20-10-3-1-4-11-20)23-18-22(14-9-16-24-15-7-8-17-27-24)26(29-19-23)21-12-5-2-6-13-21/h1-13,15-17,22-23,25-26,28H,14,18-19H2/b16-9+/t22-,23+,25-,26+/m0/s1
InChIKeyOMMCHYWBQMADSL-MEIBSZKASA-N
XLogP5.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol?
The IUPAC name of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol (CID 71819538) is (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol?
The canonical SMILES for (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol is O[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/c2ccccn2)C1.
What is the InChIKey of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol?
The InChIKey is OMMCHYWBQMADSL-MEIBSZKASA-N. The full InChI is InChI=1S/C26H27NO2/c28-25(20-10-3-1-4-11-20)23-18-22(14-9-16-24-15-7-8-17-27-24)26(29-19-23)21-12-5-2-6-13-21/h1-13,15-17,22-23,25-26,28H,14,18-19H2/b16-9+/t22-,23+,25-,26+/m0/s1.
What are the key properties of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol?
(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol has a molecular weight of 385.51 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol is sourced from PubChem (CID 71819538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).