(1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one

C17H18O2Se — CID 101116588

IUPAC(1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one
SMILESCCC(=O)[C@@H]([Se]c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H18O2Se/c1-2-15(18)17(20-14-11-7-4-8-12-14)16(19)13-9-5-3-6-10-13/h3-12,16-17,19H,2H2,1H3/t16-,17-/m1/s1
InChIKeyXYJFXRGWKYAJQL-IAGOWNOFSA-N
MW333.29 g/mol
LogP2.52
Rot. Bonds6

About (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one

(1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one (PubChem CID 101116588) has the molecular formula C17H18O2Se and a molecular weight of 333.29 g/mol. Its IUPAC name is (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one.

Molecular Properties

Compound Name(1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one
PubChem CID101116588
Molecular FormulaC17H18O2Se
Molecular Weight333.29 g/mol
Exact Mass334.05
IUPAC Name(1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one
SMILESCCC(=O)[C@@H]([Se]c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H18O2Se/c1-2-15(18)17(20-14-11-7-4-8-12-14)16(19)13-9-5-3-6-10-13/h3-12,16-17,19H,2H2,1H3/t16-,17-/m1/s1
InChIKeyXYJFXRGWKYAJQL-IAGOWNOFSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one
CID 71241359
1-fluoro-1-phenylbutan-2-one
CID 90470836
ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate
CID 101397119
1-(ethylamino)-1-phenylbutan-2-one
CID 123921729
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
1,2-diphenylethane-1,2-diol
CID 159073808
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
CID 172694063
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 4-methyl-2-[(1S)-1-phenylethyl]imino-3-phenylselanylpentanoate
CID 101000301
N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
CID 67678172

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one?
The IUPAC name of (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one (CID 101116588) is (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one.
What is the SMILES notation for (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one?
The canonical SMILES for (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one is CCC(=O)[C@@H]([Se]c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one?
The InChIKey is XYJFXRGWKYAJQL-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O2Se/c1-2-15(18)17(20-14-11-7-4-8-12-14)16(19)13-9-5-3-6-10-13/h3-12,16-17,19H,2H2,1H3/t16-,17-/m1/s1.
What are the key properties of (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one?
(1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one has a molecular weight of 333.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one is sourced from PubChem (CID 101116588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).