4-phenylbutan-2-one;yttrium

C10H11OY- — CID 59911697

IUPAC4-phenylbutan-2-one;yttrium
SMILESCC(=O)[CH-]Cc1ccccc1.[Y]
InChIInChI=1S/C10H11O.Y/c1-9(11)7-8-10-5-3-2-4-6-10;/h2-7H,8H2,1H3;/q-1;
InChIKeyDCKQMOHYVKZGDW-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.02
Rot. Bonds3

About 4-phenylbutan-2-one;yttrium

4-phenylbutan-2-one;yttrium (PubChem CID 59911697) has the molecular formula C10H11OY- and a molecular weight of 236.10 g/mol. Its IUPAC name is 4-phenylbutan-2-one;yttrium.

Molecular Properties

Compound Name4-phenylbutan-2-one;yttrium
PubChem CID59911697
Molecular FormulaC10H11OY-
Molecular Weight236.10 g/mol
Exact Mass235.99
IUPAC Name4-phenylbutan-2-one;yttrium
SMILESCC(=O)[CH-]Cc1ccccc1.[Y]
InChIInChI=1S/C10H11O.Y/c1-9(11)7-8-10-5-3-2-4-6-10;/h2-7H,8H2,1H3;/q-1;
InChIKeyDCKQMOHYVKZGDW-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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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CID 160889858
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5-phenylpentan-2-one
CID 16701
zinc propylbenzene
CID 562413
(E)-3-benzylpent-3-en-2-one
CID 10821122
acetic acid;ethane;ethylbenzene;methane
CID 159768897
acetic acid;phenylmethoxymethylbenzene
CID 175214238
benzyltin(3+) triacetate
CID 161126164
N-benzyl-N-prop-1-ynylacetamide
CID 102210040
phenylmethanediazonium acetate
CID 162310066
butylbenzene;carbonic acid
CID 158278492

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutan-2-one;yttrium?
The IUPAC name of 4-phenylbutan-2-one;yttrium (CID 59911697) is 4-phenylbutan-2-one;yttrium.
What is the SMILES notation for 4-phenylbutan-2-one;yttrium?
The canonical SMILES for 4-phenylbutan-2-one;yttrium is CC(=O)[CH-]Cc1ccccc1.[Y].
What is the InChIKey of 4-phenylbutan-2-one;yttrium?
The InChIKey is DCKQMOHYVKZGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.Y/c1-9(11)7-8-10-5-3-2-4-6-10;/h2-7H,8H2,1H3;/q-1;.
What are the key properties of 4-phenylbutan-2-one;yttrium?
4-phenylbutan-2-one;yttrium has a molecular weight of 236.10 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutan-2-one;yttrium is sourced from PubChem (CID 59911697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).