1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium

C8H11O2Y- — CID 161456522

IUPAC1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium
SMILES[CH2-]c1ccc(C(O)CC)o1.[Y]
InChIInChI=1S/C8H11O2.Y/c1-3-7(9)8-5-4-6(2)10-8;/h4-5,7,9H,2-3H2,1H3;/q-1;
InChIKeyBUIMINOGKXYEJB-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.90
Rot. Bonds2

About 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium

1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium (PubChem CID 161456522) has the molecular formula C8H11O2Y- and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium.

Molecular Properties

Compound Name1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium
PubChem CID161456522
Molecular FormulaC8H11O2Y-
Molecular Weight228.08 g/mol
Exact Mass227.98
IUPAC Name1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium
SMILES[CH2-]c1ccc(C(O)CC)o1.[Y]
InChIInChI=1S/C8H11O2.Y/c1-3-7(9)8-5-4-6(2)10-8;/h4-5,7,9H,2-3H2,1H3;/q-1;
InChIKeyBUIMINOGKXYEJB-UHFFFAOYSA-N
XLogP1.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium?
The IUPAC name of 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium (CID 161456522) is 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium.
What is the SMILES notation for 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium?
The canonical SMILES for 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium is [CH2-]c1ccc(C(O)CC)o1.[Y].
What is the InChIKey of 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium?
The InChIKey is BUIMINOGKXYEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.Y/c1-3-7(9)8-5-4-6(2)10-8;/h4-5,7,9H,2-3H2,1H3;/q-1;.
What are the key properties of 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium?
1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium has a molecular weight of 228.08 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium is sourced from PubChem (CID 161456522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).