(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol

C20H22O4 — CID 58859609

IUPAC(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C(COCc2ccccc2)OC=C[C@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c21-20-18(24-14-17-9-5-2-6-10-17)11-12-23-19(20)15-22-13-16-7-3-1-4-8-16/h1-12,18-21H,13-15H2/t18-,19?,20-/m1/s1
InChIKeyKUSSRSMLTQREOG-YSSMNDQQSA-N
MW326.39 g/mol
LogP3.06
Rot. Bonds7

About (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol

(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol (PubChem CID 58859609) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
PubChem CID58859609
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C(COCc2ccccc2)OC=C[C@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c21-20-18(24-14-17-9-5-2-6-10-17)11-12-23-19(20)15-22-13-16-7-3-1-4-8-16/h1-12,18-21H,13-15H2/t18-,19?,20-/m1/s1
InChIKeyKUSSRSMLTQREOG-YSSMNDQQSA-N
XLogP3.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 91546775
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-2-yl]methanol
CID 102122335
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
(2R,3R,4R,5S)-2-(methoxymethyl)-3,4,5-tris(phenylmethoxy)-2,3,4,5-tetrahydrooxepine
CID 102415995
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane
CID 101496778
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate
CID 101338434
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol (CID 58859609) is (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol is O[C@H]1C(COCc2ccccc2)OC=C[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is KUSSRSMLTQREOG-YSSMNDQQSA-N. The full InChI is InChI=1S/C20H22O4/c21-20-18(24-14-17-9-5-2-6-10-17)11-12-23-19(20)15-22-13-16-7-3-1-4-8-16/h1-12,18-21H,13-15H2/t18-,19?,20-/m1/s1.
What are the key properties of (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol?
(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 326.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 58859609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).