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

C15H16OSe — CID 168868518

IUPAC(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
SMILESCc1cccc([Se]C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C15H16OSe/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3/t15-/m0/s1
InChIKeyDOGHHZSTZXVWNK-HNNXBMFYSA-N
MW291.25 g/mol
LogP2.48
Rot. Bonds4

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

(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol (PubChem CID 168868518) has the molecular formula C15H16OSe and a molecular weight of 291.25 g/mol. Its IUPAC name is (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
PubChem CID168868518
Molecular FormulaC15H16OSe
Molecular Weight291.25 g/mol
Exact Mass292.04
IUPAC Name(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
SMILESCc1cccc([Se]C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C15H16OSe/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3/t15-/m0/s1
InChIKeyDOGHHZSTZXVWNK-HNNXBMFYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.48
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
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
2-(4-chlorophenyl)selanyl-1-phenylethanol
CID 134857500
N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline
CID 172557248
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
1-methyl-3-propan-2-ylbenzene;molecular hydrogen;toluene
CID 170971912
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol?
The IUPAC name of (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol (CID 168868518) is (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol.
What is the SMILES notation for (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol?
The canonical SMILES for (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol is Cc1cccc([Se]C[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol?
The InChIKey is DOGHHZSTZXVWNK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16OSe/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3/t15-/m0/s1.
What are the key properties of (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol?
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol has a molecular weight of 291.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-methylphenyl)selanyl-1-phenylethanol is sourced from PubChem (CID 168868518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).