ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate

C15H20O4 — CID 101247662

IUPACethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[C@H](O)C[C@H](c2ccccc2)O1
InChIInChI=1S/C15H20O4/c1-2-18-15(17)10-13-8-12(16)9-14(19-13)11-6-4-3-5-7-11/h3-7,12-14,16H,2,8-10H2,1H3/t12-,13-,14+/m0/s1
InChIKeyNEWIDEKUNGJCSI-MELADBBJSA-N
MW264.32 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate

ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate (PubChem CID 101247662) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
PubChem CID101247662
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[C@H](O)C[C@H](c2ccccc2)O1
InChIInChI=1S/C15H20O4/c1-2-18-15(17)10-13-8-12(16)9-14(19-13)11-6-4-3-5-7-11/h3-7,12-14,16H,2,8-10H2,1H3/t12-,13-,14+/m0/s1
InChIKeyNEWIDEKUNGJCSI-MELADBBJSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate
CID 166448975
2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
CID 138975662
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-[(2R,4R,6S)-6-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyloxyoxan-2-yl]acetate
CID 138968440
ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate
CID 15310447
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
ethyl 3-[(3R,5S)-2,2,5-triphenyloxasilolan-3-yl]propanoate
CID 100955833
ethyl 2-[(2S,4S,6R)-2,5,5-trimethyl-6-phenyl-1,3-dioxan-4-yl]acetate
CID 23239476
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate
CID 99771242

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate (CID 101247662) is ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate is CCOC(=O)C[C@@H]1C[C@H](O)C[C@H](c2ccccc2)O1.
What is the InChIKey of ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate?
The InChIKey is NEWIDEKUNGJCSI-MELADBBJSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-18-15(17)10-13-8-12(16)9-14(19-13)11-6-4-3-5-7-11/h3-7,12-14,16H,2,8-10H2,1H3/t12-,13-,14+/m0/s1.
What are the key properties of ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate?
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate is sourced from PubChem (CID 101247662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).