1-methyl-4-propoxybenzene;yttrium

C10H13OY- — CID 59325724

IUPAC1-methyl-4-propoxybenzene;yttrium
SMILES[CH2-]CCOc1ccc(C)cc1.[Y]
InChIInChI=1S/C10H13O.Y/c1-3-8-11-10-6-4-9(2)5-7-10;/h4-7H,1,3,8H2,2H3;/q-1;
InChIKeyMDNWMNZYLKUMMW-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.60
Rot. Bonds3

About 1-methyl-4-propoxybenzene;yttrium

1-methyl-4-propoxybenzene;yttrium (PubChem CID 59325724) has the molecular formula C10H13OY- and a molecular weight of 238.12 g/mol. Its IUPAC name is 1-methyl-4-propoxybenzene;yttrium.

Molecular Properties

Compound Name1-methyl-4-propoxybenzene;yttrium
PubChem CID59325724
Molecular FormulaC10H13OY-
Molecular Weight238.12 g/mol
Exact Mass238.00
IUPAC Name1-methyl-4-propoxybenzene;yttrium
SMILES[CH2-]CCOc1ccc(C)cc1.[Y]
InChIInChI=1S/C10H13O.Y/c1-3-8-11-10-6-4-9(2)5-7-10;/h4-7H,1,3,8H2,2H3;/q-1;
InChIKeyMDNWMNZYLKUMMW-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.60
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-ethoxy-4-methylbenzene;yttrium
CID 59970582
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
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-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propoxybenzene;yttrium?
The IUPAC name of 1-methyl-4-propoxybenzene;yttrium (CID 59325724) is 1-methyl-4-propoxybenzene;yttrium.
What is the SMILES notation for 1-methyl-4-propoxybenzene;yttrium?
The canonical SMILES for 1-methyl-4-propoxybenzene;yttrium is [CH2-]CCOc1ccc(C)cc1.[Y].
What is the InChIKey of 1-methyl-4-propoxybenzene;yttrium?
The InChIKey is MDNWMNZYLKUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O.Y/c1-3-8-11-10-6-4-9(2)5-7-10;/h4-7H,1,3,8H2,2H3;/q-1;.
What are the key properties of 1-methyl-4-propoxybenzene;yttrium?
1-methyl-4-propoxybenzene;yttrium has a molecular weight of 238.12 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propoxybenzene;yttrium is sourced from PubChem (CID 59325724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).