3-(2-methylphenyl)propan-1-one;zirconium

C10H11OZr- — CID 174314352

IUPAC3-(2-methylphenyl)propan-1-one;zirconium
SMILESCc1ccccc1CC[C-]=O.[Zr]
InChIInChI=1S/C10H11O.Zr/c1-9-5-2-3-6-10(9)7-4-8-11;/h2-3,5-6H,4,7H2,1H3;/q-1;
InChIKeyZUWKUHLTGQZXOU-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.03
Rot. Bonds3

About 3-(2-methylphenyl)propan-1-one;zirconium

3-(2-methylphenyl)propan-1-one;zirconium (PubChem CID 174314352) has the molecular formula C10H11OZr- and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-(2-methylphenyl)propan-1-one;zirconium.

Molecular Properties

Compound Name3-(2-methylphenyl)propan-1-one;zirconium
PubChem CID174314352
Molecular FormulaC10H11OZr-
Molecular Weight238.42 g/mol
Exact Mass236.99
IUPAC Name3-(2-methylphenyl)propan-1-one;zirconium
SMILESCc1ccccc1CC[C-]=O.[Zr]
InChIInChI=1S/C10H11O.Zr/c1-9-5-2-3-6-10(9)7-4-8-11;/h2-3,5-6H,4,7H2,1H3;/q-1;
InChIKeyZUWKUHLTGQZXOU-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)propan-1-one;zirconium?
The IUPAC name of 3-(2-methylphenyl)propan-1-one;zirconium (CID 174314352) is 3-(2-methylphenyl)propan-1-one;zirconium.
What is the SMILES notation for 3-(2-methylphenyl)propan-1-one;zirconium?
The canonical SMILES for 3-(2-methylphenyl)propan-1-one;zirconium is Cc1ccccc1CC[C-]=O.[Zr].
What is the InChIKey of 3-(2-methylphenyl)propan-1-one;zirconium?
The InChIKey is ZUWKUHLTGQZXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.Zr/c1-9-5-2-3-6-10(9)7-4-8-11;/h2-3,5-6H,4,7H2,1H3;/q-1;.
What are the key properties of 3-(2-methylphenyl)propan-1-one;zirconium?
3-(2-methylphenyl)propan-1-one;zirconium has a molecular weight of 238.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)propan-1-one;zirconium is sourced from PubChem (CID 174314352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).