3-methyl-1-phenylselanylbutan-2-ol

C11H16OSe — CID 12504209

IUPAC3-methyl-1-phenylselanylbutan-2-ol
SMILESCC(C)C(O)C[Se]c1ccccc1
InChIInChI=1S/C11H16OSe/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyPSVAQIKZTBEEBN-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-1-phenylselanylbutan-2-ol

3-methyl-1-phenylselanylbutan-2-ol (PubChem CID 12504209) has the molecular formula C11H16OSe and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-methyl-1-phenylselanylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-phenylselanylbutan-2-ol
PubChem CID12504209
Molecular FormulaC11H16OSe
Molecular Weight243.21 g/mol
Exact Mass244.04
IUPAC Name3-methyl-1-phenylselanylbutan-2-ol
SMILESCC(C)C(O)C[Se]c1ccccc1
InChIInChI=1S/C11H16OSe/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyPSVAQIKZTBEEBN-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.45
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-methylpropylselanylbenzene
CID 12544088
(2S)-3-methyl-1-phenylselanylbutan-2-amine
CID 11572279
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
4-methyl-5-phenylselanylpentan-2-one
CID 87872805
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
1,1,1-trifluoro-3-phenylselanylpropan-2-ol
CID 134993277
(4S)-4-methyl-5-phenylselanylpentanoic acid
CID 59962587
4-methyl-5-phenylselanylpentanoic acid
CID 23379011
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
(2S)-1-phenylselanyloctan-2-ol
CID 71415328
3-[(3R,6S)-6-methoxy-3,6-dihydro-2H-pyran-3-yl]-1-phenylselanylbutan-2-ol
CID 11056960
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylselanylbutan-2-ol?
The IUPAC name of 3-methyl-1-phenylselanylbutan-2-ol (CID 12504209) is 3-methyl-1-phenylselanylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-phenylselanylbutan-2-ol?
The canonical SMILES for 3-methyl-1-phenylselanylbutan-2-ol is CC(C)C(O)C[Se]c1ccccc1.
What is the InChIKey of 3-methyl-1-phenylselanylbutan-2-ol?
The InChIKey is PSVAQIKZTBEEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OSe/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3.
What are the key properties of 3-methyl-1-phenylselanylbutan-2-ol?
3-methyl-1-phenylselanylbutan-2-ol has a molecular weight of 243.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylselanylbutan-2-ol is sourced from PubChem (CID 12504209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).