(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol

C18H22OSe — CID 168868530

IUPAC(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
SMILESCC(C)(C)c1ccc([C@@H](O)C[Se]c2ccccc2)cc1
InChIInChI=1S/C18H22OSe/c1-18(2,3)15-11-9-14(10-12-15)17(19)13-20-16-7-5-4-6-8-16/h4-12,17,19H,13H2,1-3H3/t17-/m0/s1
InChIKeyUEEJXIDJXZCPOH-KRWDZBQOSA-N
MW333.33 g/mol
LogP3.47
Rot. Bonds4

About (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol

(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol (PubChem CID 168868530) has the molecular formula C18H22OSe and a molecular weight of 333.33 g/mol. Its IUPAC name is (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol.

Molecular Properties

Compound Name(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
PubChem CID168868530
Molecular FormulaC18H22OSe
Molecular Weight333.33 g/mol
Exact Mass334.08
IUPAC Name(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
SMILESCC(C)(C)c1ccc([C@@H](O)C[Se]c2ccccc2)cc1
InChIInChI=1S/C18H22OSe/c1-18(2,3)15-11-9-14(10-12-15)17(19)13-20-16-7-5-4-6-8-16/h4-12,17,19H,13H2,1-3H3/t17-/m0/s1
InChIKeyUEEJXIDJXZCPOH-KRWDZBQOSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.47
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
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
2-methylpropylselanylbenzene
CID 12544088
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
(1R)-2-(3-chlorophenyl)selanyl-1-phenylethanol
CID 168868535
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol?
The IUPAC name of (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol (CID 168868530) is (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol.
What is the SMILES notation for (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol?
The canonical SMILES for (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol is CC(C)(C)c1ccc([C@@H](O)C[Se]c2ccccc2)cc1.
What is the InChIKey of (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol?
The InChIKey is UEEJXIDJXZCPOH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22OSe/c1-18(2,3)15-11-9-14(10-12-15)17(19)13-20-16-7-5-4-6-8-16/h4-12,17,19H,13H2,1-3H3/t17-/m0/s1.
What are the key properties of (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol?
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol has a molecular weight of 333.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol is sourced from PubChem (CID 168868530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).