1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium

C9H10BrOY- — CID 58089075

IUPAC1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium
SMILESCOc1c(C)[c-]c(C)cc1Br.[Y]
InChIInChI=1S/C9H10BrO.Y/c1-6-4-7(2)9(11-3)8(10)5-6;/h5H,1-3H3;/q-1;
InChIKeyUEEXGUPOXLCVDC-UHFFFAOYSA-N
MW302.99 g/mol
LogP2.87
Rot. Bonds1

About 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium

1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium (PubChem CID 58089075) has the molecular formula C9H10BrOY- and a molecular weight of 302.99 g/mol. Its IUPAC name is 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium.

Molecular Properties

Compound Name1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium
PubChem CID58089075
Molecular FormulaC9H10BrOY-
Molecular Weight302.99 g/mol
Exact Mass301.90
IUPAC Name1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium
SMILESCOc1c(C)[c-]c(C)cc1Br.[Y]
InChIInChI=1S/C9H10BrO.Y/c1-6-4-7(2)9(11-3)8(10)5-6;/h5H,1-3H3;/q-1;
InChIKeyUEEXGUPOXLCVDC-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.99
LogP ≤ 52.87
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

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
CID 12914311
Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CID 10933159
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
Magnesium;2-methoxy-1,3-dimethylbenzene-5-ide;bromide
CID 17748543
6-[(E)-1-bromo-3-fluorobut-1-enyl]-5-ethyl-2H-pyran
CID 142869295
1-Bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium
CID 166108114
2,4-Dimethoxy-6-methylphenylmagnesium bromide
CID 10967081
(3-Methoxy-4-methylphenyl)Zinc bromide
CID 133144745
5-Bromo-4-methoxy-1,2-dimethylcyclohepta-1,3,5-triene
CID 134865189
4-Bromo-5-methoxy-1,2-dimethylcyclohepta-1,3,5-triene
CID 134865256
Magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide
CID 134892734
4-Bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
CID 134982344

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium?
The IUPAC name of 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium (CID 58089075) is 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium.
What is the SMILES notation for 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium?
The canonical SMILES for 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium is COc1c(C)[c-]c(C)cc1Br.[Y].
What is the InChIKey of 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium?
The InChIKey is UEEXGUPOXLCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrO.Y/c1-6-4-7(2)9(11-3)8(10)5-6;/h5H,1-3H3;/q-1;.
What are the key properties of 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium?
1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium has a molecular weight of 302.99 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium is sourced from PubChem (CID 58089075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).