ethane;3-phenylpropanoate;yttrium

C11H14O2Y-2 — CID 160889858

IUPACethane;3-phenylpropanoate;yttrium
SMILESCC.O=C([O-])[CH-]Cc1ccccc1.[Y]
InChIInChI=1S/C9H9O2.C2H6.Y/c10-9(11)7-6-8-4-2-1-3-5-8;1-2;/h1-5,7H,6H2,(H,10,11);1-2H3;/q-1;;/p-1
InChIKeyFEGWFFVLDZSXET-UHFFFAOYSA-M
MW267.14 g/mol
LogP1.21
Rot. Bonds3

About ethane;3-phenylpropanoate;yttrium

ethane;3-phenylpropanoate;yttrium (PubChem CID 160889858) has the molecular formula C11H14O2Y-2 and a molecular weight of 267.14 g/mol. Its IUPAC name is ethane;3-phenylpropanoate;yttrium.

Molecular Properties

Compound Nameethane;3-phenylpropanoate;yttrium
PubChem CID160889858
Molecular FormulaC11H14O2Y-2
Molecular Weight267.14 g/mol
Exact Mass267.01
IUPAC Nameethane;3-phenylpropanoate;yttrium
SMILESCC.O=C([O-])[CH-]Cc1ccccc1.[Y]
InChIInChI=1S/C9H9O2.C2H6.Y/c10-9(11)7-6-8-4-2-1-3-5-8;1-2;/h1-5,7H,6H2,(H,10,11);1-2H3;/q-1;;/p-1
InChIKeyFEGWFFVLDZSXET-UHFFFAOYSA-M
XLogP1.21
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-phenylpropanoate;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylbutan-2-one;yttrium
CID 59911697
benzyltin(3+) triacetate
CID 161126164
lithium 2-phenylacetate
CID 19205773
phenylmethanediazonium acetate
CID 162310066
3-phenylpropylazanium acetate
CID 67633985
zinc propylbenzene
CID 562413
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
acetic acid;ethane;ethylbenzene;methane
CID 159768897
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687

Frequently Asked Questions

What is the IUPAC name of ethane;3-phenylpropanoate;yttrium?
The IUPAC name of ethane;3-phenylpropanoate;yttrium (CID 160889858) is ethane;3-phenylpropanoate;yttrium.
What is the SMILES notation for ethane;3-phenylpropanoate;yttrium?
The canonical SMILES for ethane;3-phenylpropanoate;yttrium is CC.O=C([O-])[CH-]Cc1ccccc1.[Y].
What is the InChIKey of ethane;3-phenylpropanoate;yttrium?
The InChIKey is FEGWFFVLDZSXET-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9O2.C2H6.Y/c10-9(11)7-6-8-4-2-1-3-5-8;1-2;/h1-5,7H,6H2,(H,10,11);1-2H3;/q-1;;/p-1.
What are the key properties of ethane;3-phenylpropanoate;yttrium?
ethane;3-phenylpropanoate;yttrium has a molecular weight of 267.14 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenylpropanoate;yttrium is sourced from PubChem (CID 160889858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).