[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate

C30H28O6 — CID 162674478

IUPAC[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C1C=C[C@@H](OCc2ccccc2)[C@@H]([C@@H](COC(=O)/C=C/c2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C30H28O6/c31-28(18-16-23-10-4-1-5-11-23)35-22-27(34-21-25-14-8-3-9-15-25)30-26(17-19-29(32)36-30)33-20-24-12-6-2-7-13-24/h1-19,26-27,30H,20-22H2/b18-16+/t26-,27-,30+/m1/s1
InChIKeyJDCBNEBBNXSOHP-NMAMXUHWSA-N
MW484.55 g/mol
LogP4.90
Rot. Bonds11

About [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate

[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate (PubChem CID 162674478) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate
PubChem CID162674478
Molecular FormulaC30H28O6
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC Name[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C1C=C[C@@H](OCc2ccccc2)[C@@H]([C@@H](COC(=O)/C=C/c2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C30H28O6/c31-28(18-16-23-10-4-1-5-11-23)35-22-27(34-21-25-14-8-3-9-15-25)30-26(17-19-29(32)36-30)33-20-24-12-6-2-7-13-24/h1-19,26-27,30H,20-22H2/b18-16+/t26-,27-,30+/m1/s1
InChIKeyJDCBNEBBNXSOHP-NMAMXUHWSA-N
XLogP4.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate (CID 162674478) is [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate is O=C1C=C[C@@H](OCc2ccccc2)[C@@H]([C@@H](COC(=O)/C=C/c2ccccc2)OCc2ccccc2)O1.
What is the InChIKey of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is JDCBNEBBNXSOHP-NMAMXUHWSA-N. The full InChI is InChI=1S/C30H28O6/c31-28(18-16-23-10-4-1-5-11-23)35-22-27(34-21-25-14-8-3-9-15-25)30-26(17-19-29(32)36-30)33-20-24-12-6-2-7-13-24/h1-19,26-27,30H,20-22H2/b18-16+/t26-,27-,30+/m1/s1.
What are the key properties of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate?
[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 484.55 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 162674478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).