ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

C16H20O4 — CID 134944536

IUPACethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](c2ccccc2)C[C@@H](OCC)O1
InChIInChI=1S/C16H20O4/c1-3-18-15-11-13(12-8-6-5-7-9-12)10-14(20-15)16(17)19-4-2/h5-10,13,15H,3-4,11H2,1-2H3/t13-,15-/m0/s1
InChIKeyREFIYHNHQGAOAL-ZFWWWQNUSA-N
MW276.33 g/mol
LogP3.00
Rot. Bonds5

About ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 134944536) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID134944536
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](c2ccccc2)C[C@@H](OCC)O1
InChIInChI=1S/C16H20O4/c1-3-18-15-11-13(12-8-6-5-7-9-12)10-14(20-15)16(17)19-4-2/h5-10,13,15H,3-4,11H2,1-2H3/t13-,15-/m0/s1
InChIKeyREFIYHNHQGAOAL-ZFWWWQNUSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 134944536) is ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is CCOC(=O)C1=C[C@H](c2ccccc2)C[C@@H](OCC)O1.
What is the InChIKey of ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is REFIYHNHQGAOAL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H20O4/c1-3-18-15-11-13(12-8-6-5-7-9-12)10-14(20-15)16(17)19-4-2/h5-10,13,15H,3-4,11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 134944536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).