(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol

C14H13ClOSe — CID 168868535

IUPAC(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
SMILESO[C@@H](C[Se]c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClOSe/c15-12-7-4-8-13(9-12)17-10-14(16)11-5-2-1-3-6-11/h1-9,14,16H,10H2/t14-/m0/s1
InChIKeyVEJPLBHOFWOAFX-AWEZNQCLSA-N
MW311.67 g/mol
LogP2.82
Rot. Bonds4

About (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol

(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol (PubChem CID 168868535) has the molecular formula C14H13ClOSe and a molecular weight of 311.67 g/mol. Its IUPAC name is (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
PubChem CID168868535
Molecular FormulaC14H13ClOSe
Molecular Weight311.67 g/mol
Exact Mass311.98
IUPAC Name(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
SMILESO[C@@H](C[Se]c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClOSe/c15-12-7-4-8-13(9-12)17-10-14(16)11-5-2-1-3-6-11/h1-9,14,16H,10H2/t14-/m0/s1
InChIKeyVEJPLBHOFWOAFX-AWEZNQCLSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.67
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)selanyl-1-phenylethanol
CID 134857500
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
(3-chlorophenyl)methanediol
CID 20679602
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol?
The IUPAC name of (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol (CID 168868535) is (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol.
What is the SMILES notation for (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol?
The canonical SMILES for (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol is O[C@@H](C[Se]c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol?
The InChIKey is VEJPLBHOFWOAFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13ClOSe/c15-12-7-4-8-13(9-12)17-10-14(16)11-5-2-1-3-6-11/h1-9,14,16H,10H2/t14-/m0/s1.
What are the key properties of (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol?
(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol has a molecular weight of 311.67 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol is sourced from PubChem (CID 168868535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).