3-methoxy-2-phenylselanylbutan-1-ol

C11H16O2Se — CID 10890597

IUPAC3-methoxy-2-phenylselanylbutan-1-ol
SMILESCOC(C)C(CO)[Se]c1ccccc1
InChIInChI=1S/C11H16O2Se/c1-9(13-2)11(8-12)14-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyMFKJHEUKHIZUPM-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.83
Rot. Bonds5

About 3-methoxy-2-phenylselanylbutan-1-ol

3-methoxy-2-phenylselanylbutan-1-ol (PubChem CID 10890597) has the molecular formula C11H16O2Se and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-methoxy-2-phenylselanylbutan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-phenylselanylbutan-1-ol
PubChem CID10890597
Molecular FormulaC11H16O2Se
Molecular Weight259.21 g/mol
Exact Mass260.03
IUPAC Name3-methoxy-2-phenylselanylbutan-1-ol
SMILESCOC(C)C(CO)[Se]c1ccccc1
InChIInChI=1S/C11H16O2Se/c1-9(13-2)11(8-12)14-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyMFKJHEUKHIZUPM-UHFFFAOYSA-N
XLogP0.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5S)-5-methoxy-4-phenylselanylhexan-3-ol
CID 134931525
(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol
CID 10597762
(2R)-2-methoxy-2-phenylethanol
CID 6950345
methyl 2-phenylselanylpropanoate
CID 5323788
[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene
CID 15252820
(2R)-1,1-bis(phenylselanyl)propan-2-ol
CID 71415322
methyl 4-cyano-2-methoxy-4-phenylselanylbutanoate
CID 15262419
[(2R)-2-methoxy-1-phenylpropyl]benzene
CID 101223865
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
[(4S,5R)-5-phenylselanyloctan-4-yl] acetate
CID 102485999
(3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol
CID 11131997
[(2R,3S)-3-chloro-1,1,4,4-tetramethoxybutan-2-yl]selanylbenzene
CID 10937473

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylselanylbutan-1-ol?
The IUPAC name of 3-methoxy-2-phenylselanylbutan-1-ol (CID 10890597) is 3-methoxy-2-phenylselanylbutan-1-ol.
What is the SMILES notation for 3-methoxy-2-phenylselanylbutan-1-ol?
The canonical SMILES for 3-methoxy-2-phenylselanylbutan-1-ol is COC(C)C(CO)[Se]c1ccccc1.
What is the InChIKey of 3-methoxy-2-phenylselanylbutan-1-ol?
The InChIKey is MFKJHEUKHIZUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2Se/c1-9(13-2)11(8-12)14-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3.
What are the key properties of 3-methoxy-2-phenylselanylbutan-1-ol?
3-methoxy-2-phenylselanylbutan-1-ol has a molecular weight of 259.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylselanylbutan-1-ol is sourced from PubChem (CID 10890597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).