[(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C14H16O3 — CID 155075905

IUPAC[(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC=C[C@@H](c2ccccc2)O1
InChIInChI=1S/C14H16O3/c1-11(15)16-10-13-8-5-9-14(17-13)12-6-3-2-4-7-12/h2-7,9,13-14H,8,10H2,1H3/t13-,14-/m0/s1
InChIKeyGXVUQGFEVVJRIG-KBPBESRZSA-N
MW232.28 g/mol
LogP2.64
Rot. Bonds3

About [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 155075905) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID155075905
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name[(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC=C[C@@H](c2ccccc2)O1
InChIInChI=1S/C14H16O3/c1-11(15)16-10-13-8-5-9-14(17-13)12-6-3-2-4-7-12/h2-7,9,13-14H,8,10H2,1H3/t13-,14-/m0/s1
InChIKeyGXVUQGFEVVJRIG-KBPBESRZSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.64
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

[(2R,3R,6S)-3-acetyloxy-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101149191
[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 93493280
[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 101050885
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-phenyloxan-2-yl]methyl acetate
CID 14237836
(3-acetyloxy-4,5-dihydroxy-6-phenyloxan-2-yl)methyl acetate
CID 123856643
[3-acetyloxy-6-[4-[3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]phenyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 123617972
(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl acetate
CID 163623507
[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4-methoxy-3,5-diphenyloxan-2-yl]methyl acetate
CID 102300415
[(2S,6R)-5-hydroxy-6-(2-phenylsulfanylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101038651
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
[(2S,6R)-6-[(2S)-1-oxo-1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101224546

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 155075905) is [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@@H]1CC=C[C@@H](c2ccccc2)O1.
What is the InChIKey of [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is GXVUQGFEVVJRIG-KBPBESRZSA-N. The full InChI is InChI=1S/C14H16O3/c1-11(15)16-10-13-8-5-9-14(17-13)12-6-3-2-4-7-12/h2-7,9,13-14H,8,10H2,1H3/t13-,14-/m0/s1.
What are the key properties of [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 232.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 155075905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).