3-(2-methylphenyl)propan-1-one;yttrium(3+)

C10H11OY+2 — CID 23600133

IUPAC3-(2-methylphenyl)propan-1-one;yttrium(3+)
SMILESCc1ccccc1CC[C-]=O.[Y+3]
InChIInChI=1S/C10H11O.Y/c1-9-5-2-3-6-10(9)7-4-8-11;/h2-3,5-6H,4,7H2,1H3;/q-1;+3
InChIKeySIHYUGSKFBGOJX-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.03
Rot. Bonds3

About 3-(2-methylphenyl)propan-1-one;yttrium(3+)

3-(2-methylphenyl)propan-1-one;yttrium(3+) (PubChem CID 23600133) has the molecular formula C10H11OY+2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 3-(2-methylphenyl)propan-1-one;yttrium(3+).

Molecular Properties

Compound Name3-(2-methylphenyl)propan-1-one;yttrium(3+)
PubChem CID23600133
Molecular FormulaC10H11OY+2
Molecular Weight236.10 g/mol
Exact Mass235.99
IUPAC Name3-(2-methylphenyl)propan-1-one;yttrium(3+)
SMILESCc1ccccc1CC[C-]=O.[Y+3]
InChIInChI=1S/C10H11O.Y/c1-9-5-2-3-6-10(9)7-4-8-11;/h2-3,5-6H,4,7H2,1H3;/q-1;+3
InChIKeySIHYUGSKFBGOJX-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 ≤ 500236.10
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;yttrium(3+)?
The IUPAC name of 3-(2-methylphenyl)propan-1-one;yttrium(3+) (CID 23600133) is 3-(2-methylphenyl)propan-1-one;yttrium(3+).
What is the SMILES notation for 3-(2-methylphenyl)propan-1-one;yttrium(3+)?
The canonical SMILES for 3-(2-methylphenyl)propan-1-one;yttrium(3+) is Cc1ccccc1CC[C-]=O.[Y+3].
What is the InChIKey of 3-(2-methylphenyl)propan-1-one;yttrium(3+)?
The InChIKey is SIHYUGSKFBGOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.Y/c1-9-5-2-3-6-10(9)7-4-8-11;/h2-3,5-6H,4,7H2,1H3;/q-1;+3.
What are the key properties of 3-(2-methylphenyl)propan-1-one;yttrium(3+)?
3-(2-methylphenyl)propan-1-one;yttrium(3+) has a molecular weight of 236.10 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;yttrium(3+) is sourced from PubChem (CID 23600133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).