1-ethyl-3-methanidyloxybenzene;yttrium

C9H11OY- — CID 59798330

IUPAC1-ethyl-3-methanidyloxybenzene;yttrium
SMILES[CH2-]Oc1cccc(CC)c1.[Y]
InChIInChI=1S/C9H11O.Y/c1-3-8-5-4-6-9(7-8)10-2;/h4-7H,2-3H2,1H3;/q-1;
InChIKeyJNKIGDDNFSIZPC-UHFFFAOYSA-N
MW224.09 g/mol
LogP2.42
Rot. Bonds2

About 1-ethyl-3-methanidyloxybenzene;yttrium

1-ethyl-3-methanidyloxybenzene;yttrium (PubChem CID 59798330) has the molecular formula C9H11OY- and a molecular weight of 224.09 g/mol. Its IUPAC name is 1-ethyl-3-methanidyloxybenzene;yttrium.

Molecular Properties

Compound Name1-ethyl-3-methanidyloxybenzene;yttrium
PubChem CID59798330
Molecular FormulaC9H11OY-
Molecular Weight224.09 g/mol
Exact Mass223.99
IUPAC Name1-ethyl-3-methanidyloxybenzene;yttrium
SMILES[CH2-]Oc1cccc(CC)c1.[Y]
InChIInChI=1S/C9H11O.Y/c1-3-8-5-4-6-9(7-8)10-2;/h4-7H,2-3H2,1H3;/q-1;
InChIKeyJNKIGDDNFSIZPC-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-ethylphenyl) hypoiodite
CID 71211599
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
1-(3-ethylphenoxy)ethanol
CID 66709778
(3-ethylphenyl) hydrogen sulfate
CID 86290012
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
(3-ethylphenyl)phosphanium chloride
CID 172678220
potassium (3-ethylphenoxy)methyl-trifluoroboranuide
CID 63703906
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methanidyloxybenzene;yttrium?
The IUPAC name of 1-ethyl-3-methanidyloxybenzene;yttrium (CID 59798330) is 1-ethyl-3-methanidyloxybenzene;yttrium.
What is the SMILES notation for 1-ethyl-3-methanidyloxybenzene;yttrium?
The canonical SMILES for 1-ethyl-3-methanidyloxybenzene;yttrium is [CH2-]Oc1cccc(CC)c1.[Y].
What is the InChIKey of 1-ethyl-3-methanidyloxybenzene;yttrium?
The InChIKey is JNKIGDDNFSIZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O.Y/c1-3-8-5-4-6-9(7-8)10-2;/h4-7H,2-3H2,1H3;/q-1;.
What are the key properties of 1-ethyl-3-methanidyloxybenzene;yttrium?
1-ethyl-3-methanidyloxybenzene;yttrium has a molecular weight of 224.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methanidyloxybenzene;yttrium is sourced from PubChem (CID 59798330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).