1-(3-bromophenyl)-2-phenylselanylethanol

C14H13BrOSe — CID 175417994

IUPAC1-(3-bromophenyl)-2-phenylselanylethanol
SMILESOC(C[Se]c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrOSe/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9,14,16H,10H2
InChIKeyOARVECUHCXOEKG-UHFFFAOYSA-N
MW356.12 g/mol
LogP2.93
Rot. Bonds4

About 1-(3-bromophenyl)-2-phenylselanylethanol

1-(3-bromophenyl)-2-phenylselanylethanol (PubChem CID 175417994) has the molecular formula C14H13BrOSe and a molecular weight of 356.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-phenylselanylethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-phenylselanylethanol
PubChem CID175417994
Molecular FormulaC14H13BrOSe
Molecular Weight356.12 g/mol
Exact Mass355.93
IUPAC Name1-(3-bromophenyl)-2-phenylselanylethanol
SMILESOC(C[Se]c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrOSe/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9,14,16H,10H2
InChIKeyOARVECUHCXOEKG-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 52.93
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

1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518
(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
CID 168868535
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
1-(3-bromophenyl)butan-1-ol
CID 18417756
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-phenylselanylethanol?
The IUPAC name of 1-(3-bromophenyl)-2-phenylselanylethanol (CID 175417994) is 1-(3-bromophenyl)-2-phenylselanylethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-phenylselanylethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-phenylselanylethanol is OC(C[Se]c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-phenylselanylethanol?
The InChIKey is OARVECUHCXOEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOSe/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9,14,16H,10H2.
What are the key properties of 1-(3-bromophenyl)-2-phenylselanylethanol?
1-(3-bromophenyl)-2-phenylselanylethanol has a molecular weight of 356.12 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-phenylselanylethanol is sourced from PubChem (CID 175417994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).