(2,6-dimethylphenyl)oxidanium

C8H11O+ — CID 154084059

IUPAC(2,6-dimethylphenyl)oxidanium
SMILESCc1cccc(C)c1[OH2+]
InChIInChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3/p+1
InChIKeyNXXYKOUNUYWIHA-UHFFFAOYSA-O
MW123.17 g/mol
LogP1.74
Rot. Bonds

About (2,6-dimethylphenyl)oxidanium

(2,6-dimethylphenyl)oxidanium (PubChem CID 154084059) has the molecular formula C8H11O+ and a molecular weight of 123.17 g/mol. Its IUPAC name is (2,6-dimethylphenyl)oxidanium.

Molecular Properties

Compound Name(2,6-dimethylphenyl)oxidanium
PubChem CID154084059
Molecular FormulaC8H11O+
Molecular Weight123.17 g/mol
Exact Mass123.08
IUPAC Name(2,6-dimethylphenyl)oxidanium
SMILESCc1cccc(C)c1[OH2+]
InChIInChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3/p+1
InChIKeyNXXYKOUNUYWIHA-UHFFFAOYSA-O
XLogP1.74
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-xylene
CID 173422016
1,5-dimethylnaphthalene
CID 162159355
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
azane;1,2-xylene
CID 174280305
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)oxidanium?
The IUPAC name of (2,6-dimethylphenyl)oxidanium (CID 154084059) is (2,6-dimethylphenyl)oxidanium.
What is the SMILES notation for (2,6-dimethylphenyl)oxidanium?
The canonical SMILES for (2,6-dimethylphenyl)oxidanium is Cc1cccc(C)c1[OH2+].
What is the InChIKey of (2,6-dimethylphenyl)oxidanium?
The InChIKey is NXXYKOUNUYWIHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3/p+1.
What are the key properties of (2,6-dimethylphenyl)oxidanium?
(2,6-dimethylphenyl)oxidanium has a molecular weight of 123.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)oxidanium is sourced from PubChem (CID 154084059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).