2-(4-chlorophenyl)selanyl-1-phenylethanol

C14H13ClOSe — CID 134857500

IUPAC2-(4-chlorophenyl)selanyl-1-phenylethanol
SMILESOC(C[Se]c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClOSe/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14,16H,10H2
InChIKeyNELNQQKAZVPCQE-UHFFFAOYSA-N
MW311.67 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-chlorophenyl)selanyl-1-phenylethanol

2-(4-chlorophenyl)selanyl-1-phenylethanol (PubChem CID 134857500) has the molecular formula C14H13ClOSe and a molecular weight of 311.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)selanyl-1-phenylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)selanyl-1-phenylethanol
PubChem CID134857500
Molecular FormulaC14H13ClOSe
Molecular Weight311.67 g/mol
Exact Mass311.98
IUPAC Name2-(4-chlorophenyl)selanyl-1-phenylethanol
SMILESOC(C[Se]c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClOSe/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14,16H,10H2
InChIKeyNELNQQKAZVPCQE-UHFFFAOYSA-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

(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
CID 168868535
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)selanyl-1-phenylethanol?
The IUPAC name of 2-(4-chlorophenyl)selanyl-1-phenylethanol (CID 134857500) is 2-(4-chlorophenyl)selanyl-1-phenylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)selanyl-1-phenylethanol?
The canonical SMILES for 2-(4-chlorophenyl)selanyl-1-phenylethanol is OC(C[Se]c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)selanyl-1-phenylethanol?
The InChIKey is NELNQQKAZVPCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOSe/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14,16H,10H2.
What are the key properties of 2-(4-chlorophenyl)selanyl-1-phenylethanol?
2-(4-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 2-(4-chlorophenyl)selanyl-1-phenylethanol is sourced from PubChem (CID 134857500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).