2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol

C14H14O2Se — CID 168868522

IUPAC2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
SMILESOc1ccccc1[C@@H](O)C[Se]c1ccccc1
InChIInChI=1S/C14H14O2Se/c15-13-9-5-4-8-12(13)14(16)10-17-11-6-2-1-3-7-11/h1-9,14-16H,10H2/t14-/m0/s1
InChIKeyNEOWUFDYQWOLLS-AWEZNQCLSA-N
MW293.22 g/mol
LogP1.87
Rot. Bonds4

About 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol

2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol (PubChem CID 168868522) has the molecular formula C14H14O2Se and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
PubChem CID168868522
Molecular FormulaC14H14O2Se
Molecular Weight293.22 g/mol
Exact Mass294.02
IUPAC Name2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
SMILESOc1ccccc1[C@@H](O)C[Se]c1ccccc1
InChIInChI=1S/C14H14O2Se/c15-13-9-5-4-8-12(13)14(16)10-17-11-6-2-1-3-7-11/h1-9,14-16H,10H2/t14-/m0/s1
InChIKeyNEOWUFDYQWOLLS-AWEZNQCLSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
2-(4-chlorophenyl)selanyl-1-phenylethanol
CID 134857500
1,1,1-trifluoro-3-phenylselanylpropan-2-ol
CID 134993277
2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol
CID 21256259
2-methylpropylselanylbenzene
CID 12544088
2-(2-aminooxy-1-hydroxyethyl)phenol
CID 105434025
(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
CID 168868535

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol?
The IUPAC name of 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol (CID 168868522) is 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol.
What is the SMILES notation for 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol?
The canonical SMILES for 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol is Oc1ccccc1[C@@H](O)C[Se]c1ccccc1.
What is the InChIKey of 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol?
The InChIKey is NEOWUFDYQWOLLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14O2Se/c15-13-9-5-4-8-12(13)14(16)10-17-11-6-2-1-3-7-11/h1-9,14-16H,10H2/t14-/m0/s1.
What are the key properties of 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol?
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol has a molecular weight of 293.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol is sourced from PubChem (CID 168868522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).