(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol

C19H20O4 — CID 66554793

IUPAC(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=C[C@@H](Oc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H20O4/c20-17-11-12-19(22-16-9-5-2-6-10-16)23-18(17)14-21-13-15-7-3-1-4-8-15/h1-12,17-20H,13-14H2/t17-,18+,19-/m0/s1
InChIKeyQMPKONWBDPTOIV-OTWHNJEPSA-N
MW312.37 g/mol
LogP2.92
Rot. Bonds6

About (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 66554793) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID66554793
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=C[C@@H](Oc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H20O4/c20-17-11-12-19(22-16-9-5-2-6-10-16)23-18(17)14-21-13-15-7-3-1-4-8-15/h1-12,17-20H,13-14H2/t17-,18+,19-/m0/s1
InChIKeyQMPKONWBDPTOIV-OTWHNJEPSA-N
XLogP2.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66555303
(2R,3R,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66554617
(2R,3S,6R)-2-(phenylmethoxymethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-3,6-dihydro-2H-pyran-3-ol
CID 101357896
(2S,3R,4S,5R,6R)-5-phenoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 13083854
(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine
CID 102159727
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol
CID 71719675
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol (CID 66554793) is (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol is O[C@H]1C=C[C@@H](Oc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is QMPKONWBDPTOIV-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H20O4/c20-17-11-12-19(22-16-9-5-2-6-10-16)23-18(17)14-21-13-15-7-3-1-4-8-15/h1-12,17-20H,13-14H2/t17-,18+,19-/m0/s1.
What are the key properties of (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 312.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 66554793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).