(1S)-2-phenylselanyl-1-thiophen-2-ylethanol

C12H12OSSe — CID 101427746

IUPAC(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
SMILESO[C@H](C[Se]c1ccccc1)c1cccs1
InChIInChI=1S/C12H12OSSe/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11,13H,9H2/t11-/m1/s1
InChIKeyGRVZTUBVQSQVSA-LLVKDONJSA-N
MW283.25 g/mol
LogP2.23
Rot. Bonds4

About (1S)-2-phenylselanyl-1-thiophen-2-ylethanol

(1S)-2-phenylselanyl-1-thiophen-2-ylethanol (PubChem CID 101427746) has the molecular formula C12H12OSSe and a molecular weight of 283.25 g/mol. Its IUPAC name is (1S)-2-phenylselanyl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
PubChem CID101427746
Molecular FormulaC12H12OSSe
Molecular Weight283.25 g/mol
Exact Mass283.98
IUPAC Name(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
SMILESO[C@H](C[Se]c1ccccc1)c1cccs1
InChIInChI=1S/C12H12OSSe/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11,13H,9H2/t11-/m1/s1
InChIKeyGRVZTUBVQSQVSA-LLVKDONJSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 94830631
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
2-(2-bromophenyl)-1-thiophen-2-ylethanol
CID 60798008
3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
(1R)-2-nitro-1-thiophen-2-ylethanol
CID 687342
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenylselanyl-1-thiophen-2-ylethanol?
The IUPAC name of (1S)-2-phenylselanyl-1-thiophen-2-ylethanol (CID 101427746) is (1S)-2-phenylselanyl-1-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-2-phenylselanyl-1-thiophen-2-ylethanol?
The canonical SMILES for (1S)-2-phenylselanyl-1-thiophen-2-ylethanol is O[C@H](C[Se]c1ccccc1)c1cccs1.
What is the InChIKey of (1S)-2-phenylselanyl-1-thiophen-2-ylethanol?
The InChIKey is GRVZTUBVQSQVSA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12OSSe/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11,13H,9H2/t11-/m1/s1.
What are the key properties of (1S)-2-phenylselanyl-1-thiophen-2-ylethanol?
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol has a molecular weight of 283.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenylselanyl-1-thiophen-2-ylethanol is sourced from PubChem (CID 101427746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).