2-(4-methylphenyl)ethyneselenolate

C9H7Se- — CID 12921639

IUPAC2-(4-methylphenyl)ethyneselenolate
SMILESCc1ccc(C#C[Se-])cc1
InChIInChI=1S/C9H8Se/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,1H3/p-1
InChIKeyFISFVHSXISGQKQ-UHFFFAOYSA-M
MW194.11 g/mol
LogP1.47
Rot. Bonds

About 2-(4-methylphenyl)ethyneselenolate

2-(4-methylphenyl)ethyneselenolate (PubChem CID 12921639) has the molecular formula C9H7Se- and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethyneselenolate.

Molecular Properties

Compound Name2-(4-methylphenyl)ethyneselenolate
PubChem CID12921639
Molecular FormulaC9H7Se-
Molecular Weight194.11 g/mol
Exact Mass194.97
IUPAC Name2-(4-methylphenyl)ethyneselenolate
SMILESCc1ccc(C#C[Se-])cc1
InChIInChI=1S/C9H8Se/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,1H3/p-1
InChIKeyFISFVHSXISGQKQ-UHFFFAOYSA-M
XLogP1.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470
1-methyl-4-[2-[2-(4-methylphenyl)ethynylsulfanyl]ethynyl]benzene
CID 71614566
ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
methane;1-methyl-4-prop-1-ynylbenzene
CID 143373241
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
1,3-dimethyl-5-[2-(4-methylphenyl)ethynyl]benzene
CID 15317762
1,4-bis(prop-1-ynyl)benzene;but-2-yne;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-prop-1-ynylbenzene);bis(1-methyl-4-(4-prop-1-ynylphenyl)benzene);1,4-xylene
CID 159451604
1-methyl-4-(3-methylbut-1-ynyl)benzene
CID 12861406
hexa-2,4-diyne;1-methyl-4-prop-1-ynylbenzene
CID 157266886
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
1-fluoro-4-[4-(4-methylphenyl)buta-1,3-diynyl]benzene
CID 20700580

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethyneselenolate?
The IUPAC name of 2-(4-methylphenyl)ethyneselenolate (CID 12921639) is 2-(4-methylphenyl)ethyneselenolate.
What is the SMILES notation for 2-(4-methylphenyl)ethyneselenolate?
The canonical SMILES for 2-(4-methylphenyl)ethyneselenolate is Cc1ccc(C#C[Se-])cc1.
What is the InChIKey of 2-(4-methylphenyl)ethyneselenolate?
The InChIKey is FISFVHSXISGQKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8Se/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,1H3/p-1.
What are the key properties of 2-(4-methylphenyl)ethyneselenolate?
2-(4-methylphenyl)ethyneselenolate has a molecular weight of 194.11 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethyneselenolate is sourced from PubChem (CID 12921639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).