2-methyl-3-phenylselanylbut-3-en-2-ol

C11H14OSe — CID 10900769

IUPAC2-methyl-3-phenylselanylbut-3-en-2-ol
SMILESC=C([Se]c1ccccc1)C(C)(C)O
InChIInChI=1S/C11H14OSe/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h4-8,12H,1H2,2-3H3
InChIKeyXIDCHRWWLOLRCM-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-3-phenylselanylbut-3-en-2-ol

2-methyl-3-phenylselanylbut-3-en-2-ol (PubChem CID 10900769) has the molecular formula C11H14OSe and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-methyl-3-phenylselanylbut-3-en-2-ol.

Molecular Properties

Compound Name2-methyl-3-phenylselanylbut-3-en-2-ol
PubChem CID10900769
Molecular FormulaC11H14OSe
Molecular Weight241.19 g/mol
Exact Mass242.02
IUPAC Name2-methyl-3-phenylselanylbut-3-en-2-ol
SMILESC=C([Se]c1ccccc1)C(C)(C)O
InChIInChI=1S/C11H14OSe/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h4-8,12H,1H2,2-3H3
InChIKeyXIDCHRWWLOLRCM-UHFFFAOYSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylselanylbut-3-en-2-ol?
The IUPAC name of 2-methyl-3-phenylselanylbut-3-en-2-ol (CID 10900769) is 2-methyl-3-phenylselanylbut-3-en-2-ol.
What is the SMILES notation for 2-methyl-3-phenylselanylbut-3-en-2-ol?
The canonical SMILES for 2-methyl-3-phenylselanylbut-3-en-2-ol is C=C([Se]c1ccccc1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-phenylselanylbut-3-en-2-ol?
The InChIKey is XIDCHRWWLOLRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OSe/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h4-8,12H,1H2,2-3H3.
What are the key properties of 2-methyl-3-phenylselanylbut-3-en-2-ol?
2-methyl-3-phenylselanylbut-3-en-2-ol has a molecular weight of 241.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylselanylbut-3-en-2-ol is sourced from PubChem (CID 10900769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).