(4-methylphenyl)selanylmethyl acetate

C10H12O2Se — CID 139264970

IUPAC(4-methylphenyl)selanylmethyl acetate
SMILESCC(=O)OC[Se]c1ccc(C)cc1
InChIInChI=1S/C10H12O2Se/c1-8-3-5-10(6-4-8)13-7-12-9(2)11/h3-6H,7H2,1-2H3
InChIKeyBGOAFCZHWJRGBQ-UHFFFAOYSA-N
MW243.16 g/mol
LogP0.85
Rot. Bonds3

About (4-methylphenyl)selanylmethyl acetate

(4-methylphenyl)selanylmethyl acetate (PubChem CID 139264970) has the molecular formula C10H12O2Se and a molecular weight of 243.16 g/mol. Its IUPAC name is (4-methylphenyl)selanylmethyl acetate.

Molecular Properties

Compound Name(4-methylphenyl)selanylmethyl acetate
PubChem CID139264970
Molecular FormulaC10H12O2Se
Molecular Weight243.16 g/mol
Exact Mass244.00
IUPAC Name(4-methylphenyl)selanylmethyl acetate
SMILESCC(=O)OC[Se]c1ccc(C)cc1
InChIInChI=1S/C10H12O2Se/c1-8-3-5-10(6-4-8)13-7-12-9(2)11/h3-6H,7H2,1-2H3
InChIKeyBGOAFCZHWJRGBQ-UHFFFAOYSA-N
XLogP0.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[4-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
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[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
ethyl acetate;toluene
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ethyl acetate;toluene
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4-[Bis(4-methylphenyl)stannyl]butyl acetate
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[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
N,N-diethylethanamine;ethyl acetate;toluene
CID 18540426
acetic acid;ethyl acetate;methanol;toluene
CID 19857576
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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)selanylmethyl acetate?
The IUPAC name of (4-methylphenyl)selanylmethyl acetate (CID 139264970) is (4-methylphenyl)selanylmethyl acetate.
What is the SMILES notation for (4-methylphenyl)selanylmethyl acetate?
The canonical SMILES for (4-methylphenyl)selanylmethyl acetate is CC(=O)OC[Se]c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)selanylmethyl acetate?
The InChIKey is BGOAFCZHWJRGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2Se/c1-8-3-5-10(6-4-8)13-7-12-9(2)11/h3-6H,7H2,1-2H3.
What are the key properties of (4-methylphenyl)selanylmethyl acetate?
(4-methylphenyl)selanylmethyl acetate has a molecular weight of 243.16 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)selanylmethyl acetate is sourced from PubChem (CID 139264970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).