[(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol

C16H18O4 — CID 102304362

IUPAC[(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESC#CCO[C@@H]1C=C[C@H](OCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C16H18O4/c1-2-10-18-16-9-8-14(15(11-17)20-16)19-12-13-6-4-3-5-7-13/h1,3-9,14-17H,10-12H2/t14-,15+,16-/m0/s1
InChIKeyWUSBULXXWGZIKT-XHSDSOJGSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds6

About [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol

[(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 102304362) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID102304362
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name[(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESC#CCO[C@@H]1C=C[C@H](OCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C16H18O4/c1-2-10-18-16-9-8-14(15(11-17)20-16)19-12-13-6-4-3-5-7-13/h1,3-9,14-17H,10-12H2/t14-,15+,16-/m0/s1
InChIKeyWUSBULXXWGZIKT-XHSDSOJGSA-N
XLogP1.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-ynoxyoxan-2-yl]methanol
CID 102412962
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
(2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 53253826
(2R,3S,6S)-6-hexoxy-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 53255077
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
[(3S,6R)-3-acetyloxy-6-phenylmethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 135030712
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol (CID 102304362) is [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol is C#CCO[C@@H]1C=C[C@H](OCc2ccccc2)[C@@H](CO)O1.
What is the InChIKey of [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is WUSBULXXWGZIKT-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H18O4/c1-2-10-18-16-9-8-14(15(11-17)20-16)19-12-13-6-4-3-5-7-13/h1,3-9,14-17H,10-12H2/t14-,15+,16-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
[(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 274.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-phenylmethoxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 102304362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).