(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran

C17H24O3 — CID 11572647

IUPAC(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran
SMILESCOC1C=C[C@H](C)[C@H]([C@@H](C)COCc2ccccc2)O1
InChIInChI=1S/C17H24O3/c1-13-9-10-16(18-3)20-17(13)14(2)11-19-12-15-7-5-4-6-8-15/h4-10,13-14,16-17H,11-12H2,1-3H3/t13-,14-,16?,17+/m0/s1
InChIKeyDKZDKUTWGVFGEY-VZEYSKEKSA-N
MW276.38 g/mol
LogP3.40
Rot. Bonds6

About (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran

(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran (PubChem CID 11572647) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran
PubChem CID11572647
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran
SMILESCOC1C=C[C@H](C)[C@H]([C@@H](C)COCc2ccccc2)O1
InChIInChI=1S/C17H24O3/c1-13-9-10-16(18-3)20-17(13)14(2)11-19-12-15-7-5-4-6-8-15/h4-10,13-14,16-17H,11-12H2,1-3H3/t13-,14-,16?,17+/m0/s1
InChIKeyDKZDKUTWGVFGEY-VZEYSKEKSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3,5-dimethyl-2-[(2R)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran-6-ol
CID 11807969
methyl (2S,3R,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10733309
(3R,4R)-3-methyl-4-[(2R)-1-phenylmethoxypropan-2-yl]oxetan-2-one
CID 10537649
(2S,3S,6R)-2-[(2S,5S,6S)-5-(1-ethoxyethoxy)-7-[(4-methoxyphenyl)methoxy]-6-methylheptan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
CID 15965826
(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine
CID 102159727
(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol
CID 11111788
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
CID 11140431
(4S,5R,6R)-5-methyl-4-pent-4-en-2-yl-6-[(2R)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
CID 134937910
(2R,4S)-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]pentan-2-ol
CID 11811094
(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane
CID 11256747
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran (CID 11572647) is (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran is COC1C=C[C@H](C)[C@H]([C@@H](C)COCc2ccccc2)O1.
What is the InChIKey of (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran?
The InChIKey is DKZDKUTWGVFGEY-VZEYSKEKSA-N. The full InChI is InChI=1S/C17H24O3/c1-13-9-10-16(18-3)20-17(13)14(2)11-19-12-15-7-5-4-6-8-15/h4-10,13-14,16-17H,11-12H2,1-3H3/t13-,14-,16?,17+/m0/s1.
What are the key properties of (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran?
(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran has a molecular weight of 276.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11572647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).