1-phenylmethoxy-3-phenylselanylpropan-2-ol

C16H18O2Se — CID 11034581

IUPAC1-phenylmethoxy-3-phenylselanylpropan-2-ol
SMILESOC(COCc1ccccc1)C[Se]c1ccccc1
InChIInChI=1S/C16H18O2Se/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2
InChIKeyMOSGUYVWZWXILV-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.01
Rot. Bonds7

About 1-phenylmethoxy-3-phenylselanylpropan-2-ol

1-phenylmethoxy-3-phenylselanylpropan-2-ol (PubChem CID 11034581) has the molecular formula C16H18O2Se and a molecular weight of 321.28 g/mol. Its IUPAC name is 1-phenylmethoxy-3-phenylselanylpropan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-phenylselanylpropan-2-ol
PubChem CID11034581
Molecular FormulaC16H18O2Se
Molecular Weight321.28 g/mol
Exact Mass322.05
IUPAC Name1-phenylmethoxy-3-phenylselanylpropan-2-ol
SMILESOC(COCc1ccccc1)C[Se]c1ccccc1
InChIInChI=1S/C16H18O2Se/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2
InChIKeyMOSGUYVWZWXILV-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenylmethoxy-3-phenylselanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-phenylselanylpropan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-phenylselanylpropan-2-ol (CID 11034581) is 1-phenylmethoxy-3-phenylselanylpropan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-phenylselanylpropan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-phenylselanylpropan-2-ol is OC(COCc1ccccc1)C[Se]c1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-phenylselanylpropan-2-ol?
The InChIKey is MOSGUYVWZWXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2Se/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2.
What are the key properties of 1-phenylmethoxy-3-phenylselanylpropan-2-ol?
1-phenylmethoxy-3-phenylselanylpropan-2-ol has a molecular weight of 321.28 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-phenylselanylpropan-2-ol is sourced from PubChem (CID 11034581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).