2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium

C11H15O2Y- — CID 135040832

IUPAC2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium
SMILESCC(C)(C)C(O)c1cc[c-]cc1O.[Y]
InChIInChI=1S/C11H15O2.Y/c1-11(2,3)10(13)8-6-4-5-7-9(8)12;/h4,6-7,10,12-13H,1-3H3;/q-1;
InChIKeyNNLIOJNSBGZPFT-UHFFFAOYSA-N
MW268.14 g/mol
LogP2.27
Rot. Bonds1

About 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium

2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium (PubChem CID 135040832) has the molecular formula C11H15O2Y- and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium.

Molecular Properties

Compound Name2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium
PubChem CID135040832
Molecular FormulaC11H15O2Y-
Molecular Weight268.14 g/mol
Exact Mass268.01
IUPAC Name2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium
SMILESCC(C)(C)C(O)c1cc[c-]cc1O.[Y]
InChIInChI=1S/C11H15O2.Y/c1-11(2,3)10(13)8-6-4-5-7-9(8)12;/h4,6-7,10,12-13H,1-3H3;/q-1;
InChIKeyNNLIOJNSBGZPFT-UHFFFAOYSA-N
XLogP2.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.27
H-Bond Donors ≤ 52
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 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium?
The IUPAC name of 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium (CID 135040832) is 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium.
What is the SMILES notation for 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium?
The canonical SMILES for 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium is CC(C)(C)C(O)c1cc[c-]cc1O.[Y].
What is the InChIKey of 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium?
The InChIKey is NNLIOJNSBGZPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2.Y/c1-11(2,3)10(13)8-6-4-5-7-9(8)12;/h4,6-7,10,12-13H,1-3H3;/q-1;.
What are the key properties of 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium?
2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium has a molecular weight of 268.14 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2-dimethylpropyl)benzene-5-id-1-ol;yttrium is sourced from PubChem (CID 135040832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).