2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium

C10H7ClO2Y-2 — CID 59904196

IUPAC2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium
SMILES[CH2-]C(C(=O)Cl)c1ccccc1[C-]=O.[Y]
InChIInChI=1S/C10H7ClO2.Y/c1-7(10(11)13)9-5-3-2-4-8(9)6-12;/h2-5,7H,1H2;/q-2;
InChIKeyBVMYVFUHJQIUGO-UHFFFAOYSA-N
MW283.52 g/mol
LogP1.82
Rot. Bonds3

About 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium

2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium (PubChem CID 59904196) has the molecular formula C10H7ClO2Y-2 and a molecular weight of 283.52 g/mol. Its IUPAC name is 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium.

Molecular Properties

Compound Name2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium
PubChem CID59904196
Molecular FormulaC10H7ClO2Y-2
Molecular Weight283.52 g/mol
Exact Mass282.92
IUPAC Name2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium
SMILES[CH2-]C(C(=O)Cl)c1ccccc1[C-]=O.[Y]
InChIInChI=1S/C10H7ClO2.Y/c1-7(10(11)13)9-5-3-2-4-8(9)6-12;/h2-5,7H,1H2;/q-2;
InChIKeyBVMYVFUHJQIUGO-UHFFFAOYSA-N
XLogP1.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium?
The IUPAC name of 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium (CID 59904196) is 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium.
What is the SMILES notation for 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium?
The canonical SMILES for 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium is [CH2-]C(C(=O)Cl)c1ccccc1[C-]=O.[Y].
What is the InChIKey of 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium?
The InChIKey is BVMYVFUHJQIUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2.Y/c1-7(10(11)13)9-5-3-2-4-8(9)6-12;/h2-5,7H,1H2;/q-2;.
What are the key properties of 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium?
2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium has a molecular weight of 283.52 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium is sourced from PubChem (CID 59904196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).