ethane;1-phenylpropan-1-ol;bis(yttrium)

C11H17OY2- — CID 161221036

IUPACethane;1-phenylpropan-1-ol;bis(yttrium)
SMILESCC.C[CH-]C(O)c1ccccc1.[Y].[Y]
InChIInChI=1S/C9H11O.C2H6.2Y/c1-2-9(10)8-6-4-3-5-7-8;1-2;;/h2-7,9-10H,1H3;1-2H3;;/q-1;;;
InChIKeyUVYONADYNXUDGR-UHFFFAOYSA-N
MW343.07 g/mol
LogP2.97
Rot. Bonds2

About ethane;1-phenylpropan-1-ol;bis(yttrium)

ethane;1-phenylpropan-1-ol;bis(yttrium) (PubChem CID 161221036) has the molecular formula C11H17OY2- and a molecular weight of 343.07 g/mol. Its IUPAC name is ethane;1-phenylpropan-1-ol;bis(yttrium).

Molecular Properties

Compound Nameethane;1-phenylpropan-1-ol;bis(yttrium)
PubChem CID161221036
Molecular FormulaC11H17OY2-
Molecular Weight343.07 g/mol
Exact Mass342.94
IUPAC Nameethane;1-phenylpropan-1-ol;bis(yttrium)
SMILESCC.C[CH-]C(O)c1ccccc1.[Y].[Y]
InChIInChI=1S/C9H11O.C2H6.2Y/c1-2-9(10)8-6-4-3-5-7-8;1-2;;/h2-7,9-10H,1H3;1-2H3;;/q-1;;;
InChIKeyUVYONADYNXUDGR-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;1-phenylpropan-1-ol;bis(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

(1S)-1-phenylethanol
CID 157125626
ethane;3-phenylhexane-2,5-dione;yttrium
CID 161208727
1,2-diphenylethane-1,2-diol
CID 159073808
azane;(1R)-1-phenylethanol
CID 126646564
[hydroxy(phenyl)methyl]-dimethylazanium chloride
CID 53446521
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
cumene;hydrogen peroxide
CID 21225480
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
cumene;ethane
CID 54306132
ethane;1-phenylethylbenzene
CID 164998811
2-amino-1-phenylethanol;ethane
CID 91425169
3-phenylbutane-1,1-diol
CID 18417931

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenylpropan-1-ol;bis(yttrium)?
The IUPAC name of ethane;1-phenylpropan-1-ol;bis(yttrium) (CID 161221036) is ethane;1-phenylpropan-1-ol;bis(yttrium).
What is the SMILES notation for ethane;1-phenylpropan-1-ol;bis(yttrium)?
The canonical SMILES for ethane;1-phenylpropan-1-ol;bis(yttrium) is CC.C[CH-]C(O)c1ccccc1.[Y].[Y].
What is the InChIKey of ethane;1-phenylpropan-1-ol;bis(yttrium)?
The InChIKey is UVYONADYNXUDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O.C2H6.2Y/c1-2-9(10)8-6-4-3-5-7-8;1-2;;/h2-7,9-10H,1H3;1-2H3;;/q-1;;;.
What are the key properties of ethane;1-phenylpropan-1-ol;bis(yttrium)?
ethane;1-phenylpropan-1-ol;bis(yttrium) has a molecular weight of 343.07 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenylpropan-1-ol;bis(yttrium) is sourced from PubChem (CID 161221036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).