1-phenylselanylpropan-2-ol

C9H12OSe — CID 11183499

IUPAC1-phenylselanylpropan-2-ol
SMILESCC(O)C[Se]c1ccccc1
InChIInChI=1S/C9H12OSe/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyQZYCRLZJNSHFKJ-UHFFFAOYSA-N
MW215.15 g/mol
LogP0.82
Rot. Bonds3

About 1-phenylselanylpropan-2-ol

1-phenylselanylpropan-2-ol (PubChem CID 11183499) has the molecular formula C9H12OSe and a molecular weight of 215.15 g/mol. Its IUPAC name is 1-phenylselanylpropan-2-ol.

Molecular Properties

Compound Name1-phenylselanylpropan-2-ol
PubChem CID11183499
Molecular FormulaC9H12OSe
Molecular Weight215.15 g/mol
Exact Mass216.01
IUPAC Name1-phenylselanylpropan-2-ol
SMILESCC(O)C[Se]c1ccccc1
InChIInChI=1S/C9H12OSe/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyQZYCRLZJNSHFKJ-UHFFFAOYSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylselanylpropan-2-ol?
The IUPAC name of 1-phenylselanylpropan-2-ol (CID 11183499) is 1-phenylselanylpropan-2-ol.
What is the SMILES notation for 1-phenylselanylpropan-2-ol?
The canonical SMILES for 1-phenylselanylpropan-2-ol is CC(O)C[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanylpropan-2-ol?
The InChIKey is QZYCRLZJNSHFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OSe/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 1-phenylselanylpropan-2-ol?
1-phenylselanylpropan-2-ol has a molecular weight of 215.15 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanylpropan-2-ol is sourced from PubChem (CID 11183499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).