1,1-bis(phenylselanyl)propan-2-ol

C15H16OSe2 — CID 12738142

IUPAC1,1-bis(phenylselanyl)propan-2-ol
SMILESCC(O)C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H16OSe2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeyUVQCJMABGPXJQP-UHFFFAOYSA-N
MW370.21 g/mol
LogP1.17
Rot. Bonds5

About 1,1-bis(phenylselanyl)propan-2-ol

1,1-bis(phenylselanyl)propan-2-ol (PubChem CID 12738142) has the molecular formula C15H16OSe2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 1,1-bis(phenylselanyl)propan-2-ol.

Molecular Properties

Compound Name1,1-bis(phenylselanyl)propan-2-ol
PubChem CID12738142
Molecular FormulaC15H16OSe2
Molecular Weight370.21 g/mol
Exact Mass371.95
IUPAC Name1,1-bis(phenylselanyl)propan-2-ol
SMILESCC(O)C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H16OSe2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeyUVQCJMABGPXJQP-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylselanylpropan-2-ol
CID 11183499
Isopropyl diphenylphosphinite
CID 298722
1-(Triphenylphosphoranyl)-2-propanol
CID 500004
Ethanol, 2-(methyldiphenylsilyl)-
CID 170302
2-Propanol, 1-(diphenylphosphino)-
CID 2828340
1-Diphenylphosphorylpropan-2-ol
CID 2828384
Hydroxypropyl phenyl selenide
CID 10656305
2-(Phenylselanyl)cyclohexan-1-ol
CID 12531121
Npc112006
CID 21965192
1-Diphenylphosphanylethanol
CID 17910137
1,1,1-Trifluoro-3-phenylselanylpropan-2-ol
CID 134993277
trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol
CID 162399931

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(phenylselanyl)propan-2-ol?
The IUPAC name of 1,1-bis(phenylselanyl)propan-2-ol (CID 12738142) is 1,1-bis(phenylselanyl)propan-2-ol.
What is the SMILES notation for 1,1-bis(phenylselanyl)propan-2-ol?
The canonical SMILES for 1,1-bis(phenylselanyl)propan-2-ol is CC(O)C([Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of 1,1-bis(phenylselanyl)propan-2-ol?
The InChIKey is UVQCJMABGPXJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OSe2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-12,15-16H,1H3.
What are the key properties of 1,1-bis(phenylselanyl)propan-2-ol?
1,1-bis(phenylselanyl)propan-2-ol has a molecular weight of 370.21 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(phenylselanyl)propan-2-ol is sourced from PubChem (CID 12738142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).