1-ethoxy-4-methylbenzene;yttrium

C9H11OY- — CID 59970582

IUPAC1-ethoxy-4-methylbenzene;yttrium
SMILES[CH2-]COc1ccc(C)cc1.[Y]
InChIInChI=1S/C9H11O.Y/c1-3-10-9-6-4-8(2)5-7-9;/h4-7H,1,3H2,2H3;/q-1;
InChIKeyQUUBKOFZDJRJNY-UHFFFAOYSA-N
MW224.09 g/mol
LogP2.21
Rot. Bonds2

About 1-ethoxy-4-methylbenzene;yttrium

1-ethoxy-4-methylbenzene;yttrium (PubChem CID 59970582) has the molecular formula C9H11OY- and a molecular weight of 224.09 g/mol. Its IUPAC name is 1-ethoxy-4-methylbenzene;yttrium.

Molecular Properties

Compound Name1-ethoxy-4-methylbenzene;yttrium
PubChem CID59970582
Molecular FormulaC9H11OY-
Molecular Weight224.09 g/mol
Exact Mass223.99
IUPAC Name1-ethoxy-4-methylbenzene;yttrium
SMILES[CH2-]COc1ccc(C)cc1.[Y]
InChIInChI=1S/C9H11O.Y/c1-3-10-9-6-4-8(2)5-7-9;/h4-7H,1,3H2,2H3;/q-1;
InChIKeyQUUBKOFZDJRJNY-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 52.21
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

1-methyl-4-propoxybenzene;yttrium
CID 59325724
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-(azidomethoxy)-4-methylbenzene
CID 14119265
[4-(4-methylphenyl)phenoxy]methanamine
CID 148562944
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
1-methyl-4-(phosphorosooxymethoxy)benzene
CID 174811270
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylbenzene;yttrium?
The IUPAC name of 1-ethoxy-4-methylbenzene;yttrium (CID 59970582) is 1-ethoxy-4-methylbenzene;yttrium.
What is the SMILES notation for 1-ethoxy-4-methylbenzene;yttrium?
The canonical SMILES for 1-ethoxy-4-methylbenzene;yttrium is [CH2-]COc1ccc(C)cc1.[Y].
What is the InChIKey of 1-ethoxy-4-methylbenzene;yttrium?
The InChIKey is QUUBKOFZDJRJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O.Y/c1-3-10-9-6-4-8(2)5-7-9;/h4-7H,1,3H2,2H3;/q-1;.
What are the key properties of 1-ethoxy-4-methylbenzene;yttrium?
1-ethoxy-4-methylbenzene;yttrium has a molecular weight of 224.09 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylbenzene;yttrium is sourced from PubChem (CID 59970582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).