(Z)-2-methyl-4-phenylselanylbut-3-en-2-ol

C11H14OSe — CID 13444935

IUPAC(Z)-2-methyl-4-phenylselanylbut-3-en-2-ol
SMILESCC(C)(O)/C=C\[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8-
InChIKeyWNTFSOIQVALTKC-HJWRWDBZSA-N
MW241.19 g/mol
LogP1.30
Rot. Bonds3

About (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol

(Z)-2-methyl-4-phenylselanylbut-3-en-2-ol (PubChem CID 13444935) has the molecular formula C11H14OSe and a molecular weight of 241.19 g/mol. Its IUPAC name is (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-2-methyl-4-phenylselanylbut-3-en-2-ol
PubChem CID13444935
Molecular FormulaC11H14OSe
Molecular Weight241.19 g/mol
Exact Mass242.02
IUPAC Name(Z)-2-methyl-4-phenylselanylbut-3-en-2-ol
SMILESCC(C)(O)/C=C\[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8-
InChIKeyWNTFSOIQVALTKC-HJWRWDBZSA-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'}

Analyze (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol 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

3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)-
CID 6282889
1-Phenylselanylpropan-2-ol
CID 11183499
2-Propanone, 1-(phenylseleno)-
CID 5323798
Acetyl phenyl selenide
CID 10750491
2-Methyl-4-phenylselanylbut-3-yn-2-ol
CID 11481828
(Z)-2-methyl-4-phenylbut-3-en-2-ol
CID 12066499
2-Methyl-1-phenylselanylpropan-2-ol
CID 13510434
(Z)-2-methyl-4-phenyltellanylbut-3-en-2-ol
CID 11543831
(Z)-2-methyl-3,4-bis(phenylselanyl)but-3-en-2-ol
CID 12170665
(Z)-3-phenylselanylprop-2-en-1-ol
CID 12609552
2-(Phenylselanyl)prop-2-en-1-ol
CID 13514485
4-Phenylselanylbutan-2-ol
CID 14069480

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol?
The IUPAC name of (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol (CID 13444935) is (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol.
What is the SMILES notation for (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol?
The canonical SMILES for (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol is CC(C)(O)/C=C\[Se]c1ccccc1.
What is the InChIKey of (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol?
The InChIKey is WNTFSOIQVALTKC-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H14OSe/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8-.
What are the key properties of (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol?
(Z)-2-methyl-4-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 (Z)-2-methyl-4-phenylselanylbut-3-en-2-ol is sourced from PubChem (CID 13444935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).