1-(3-iodophenyl)-2-phenylselanylethanol

C14H13IOSe — CID 139217896

IUPAC1-(3-iodophenyl)-2-phenylselanylethanol
SMILESOC(C[Se]c1ccccc1)c1cccc(I)c1
InChIInChI=1S/C14H13IOSe/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9,14,16H,10H2
InChIKeyIYOOTAAZQQFKOJ-UHFFFAOYSA-N
MW403.12 g/mol
LogP2.77
Rot. Bonds4

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

1-(3-iodophenyl)-2-phenylselanylethanol (PubChem CID 139217896) has the molecular formula C14H13IOSe and a molecular weight of 403.12 g/mol. Its IUPAC name is 1-(3-iodophenyl)-2-phenylselanylethanol.

Molecular Properties

Compound Name1-(3-iodophenyl)-2-phenylselanylethanol
PubChem CID139217896
Molecular FormulaC14H13IOSe
Molecular Weight403.12 g/mol
Exact Mass403.92
IUPAC Name1-(3-iodophenyl)-2-phenylselanylethanol
SMILESOC(C[Se]c1ccccc1)c1cccc(I)c1
InChIInChI=1S/C14H13IOSe/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9,14,16H,10H2
InChIKeyIYOOTAAZQQFKOJ-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.12
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
CID 168868535
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518
2-chloro-1-(3-iodophenyl)ethanol
CID 18938569
2-(4-chlorophenyl)selanyl-1-phenylethanol
CID 134857500
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
1-(difluoromethyl)-3-iodobenzene
CID 46311736
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
1-(3-iodophenyl)-2-isocyanoethanol
CID 3312810
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
3-methyl-1-phenylselanylbutan-2-ol
CID 12504209

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-2-phenylselanylethanol?
The IUPAC name of 1-(3-iodophenyl)-2-phenylselanylethanol (CID 139217896) is 1-(3-iodophenyl)-2-phenylselanylethanol.
What is the SMILES notation for 1-(3-iodophenyl)-2-phenylselanylethanol?
The canonical SMILES for 1-(3-iodophenyl)-2-phenylselanylethanol is OC(C[Se]c1ccccc1)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-2-phenylselanylethanol?
The InChIKey is IYOOTAAZQQFKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IOSe/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-iodophenyl)-2-phenylselanylethanol?
1-(3-iodophenyl)-2-phenylselanylethanol has a molecular weight of 403.12 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-2-phenylselanylethanol is sourced from PubChem (CID 139217896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).