(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol

C19H20O2Se — CID 102403075

IUPAC(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol
SMILESO[C@H](/C=C/C=C/[Se]c1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H20O2Se/c20-18(16-21-15-17-9-3-1-4-10-17)11-7-8-14-22-19-12-5-2-6-13-19/h1-14,18,20H,15-16H2/b11-7+,14-8+/t18-/m1/s1
InChIKeyJDALBLHSSFCXTO-HKOMADEHSA-N
MW359.33 g/mol
LogP2.66
Rot. Bonds8

About (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol

(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol (PubChem CID 102403075) has the molecular formula C19H20O2Se and a molecular weight of 359.33 g/mol. Its IUPAC name is (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol
PubChem CID102403075
Molecular FormulaC19H20O2Se
Molecular Weight359.33 g/mol
Exact Mass360.06
IUPAC Name(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol
SMILESO[C@H](/C=C/C=C/[Se]c1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H20O2Se/c20-18(16-21-15-17-9-3-1-4-10-17)11-7-8-14-22-19-12-5-2-6-13-19/h1-14,18,20H,15-16H2/b11-7+,14-8+/t18-/m1/s1
InChIKeyJDALBLHSSFCXTO-HKOMADEHSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol?
The IUPAC name of (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol (CID 102403075) is (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol.
What is the SMILES notation for (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol?
The canonical SMILES for (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol is O[C@H](/C=C/C=C/[Se]c1ccccc1)COCc1ccccc1.
What is the InChIKey of (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol?
The InChIKey is JDALBLHSSFCXTO-HKOMADEHSA-N. The full InChI is InChI=1S/C19H20O2Se/c20-18(16-21-15-17-9-3-1-4-10-17)11-7-8-14-22-19-12-5-2-6-13-19/h1-14,18,20H,15-16H2/b11-7+,14-8+/t18-/m1/s1.
What are the key properties of (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol?
(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol has a molecular weight of 359.33 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol is sourced from PubChem (CID 102403075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).