(Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one

C12H13ClO2Se — CID 15437283

IUPAC(Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one
SMILESCOC/C=C(\[Se]C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO2Se/c1-15-8-7-11(16-2)12(14)9-3-5-10(13)6-4-9/h3-7H,8H2,1-2H3/b11-7-
InChIKeyGLXXSJUHPNSLIK-XFFZJAGNSA-N
MW303.65 g/mol
LogP2.81
Rot. Bonds5

About (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one

(Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one (PubChem CID 15437283) has the molecular formula C12H13ClO2Se and a molecular weight of 303.65 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one
PubChem CID15437283
Molecular FormulaC12H13ClO2Se
Molecular Weight303.65 g/mol
Exact Mass303.98
IUPAC Name(Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one
SMILESCOC/C=C(\[Se]C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO2Se/c1-15-8-7-11(16-2)12(14)9-3-5-10(13)6-4-9/h3-7H,8H2,1-2H3/b11-7-
InChIKeyGLXXSJUHPNSLIK-XFFZJAGNSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.65
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one?
The IUPAC name of (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one (CID 15437283) is (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one is COC/C=C(\[Se]C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one?
The InChIKey is GLXXSJUHPNSLIK-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H13ClO2Se/c1-15-8-7-11(16-2)12(14)9-3-5-10(13)6-4-9/h3-7H,8H2,1-2H3/b11-7-.
What are the key properties of (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one?
(Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one has a molecular weight of 303.65 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-4-methoxy-2-methylselanylbut-2-en-1-one is sourced from PubChem (CID 15437283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).