diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol

C19H24I2O3V — CID 162055260

IUPACdiiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1CC(=O)O.Cc1cccc(C)c1CO.I[V]I
InChIInChI=1S/C10H12O2.C9H12O.2HI.V/c1-7-4-3-5-8(2)9(7)6-10(11)12;1-7-4-3-5-8(2)9(7)6-10;;;/h3-5H,6H2,1-2H3,(H,11,12);3-5,10H,6H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyYZBYXHHXEQIJNV-UHFFFAOYSA-L
MW605.15 g/mol
LogP5.50
Rot. Bonds3

About diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol

diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol (PubChem CID 162055260) has the molecular formula C19H24I2O3V and a molecular weight of 605.15 g/mol. Its IUPAC name is diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Namediiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol
PubChem CID162055260
Molecular FormulaC19H24I2O3V
Molecular Weight605.15 g/mol
Exact Mass604.93
IUPAC Namediiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1CC(=O)O.Cc1cccc(C)c1CO.I[V]I
InChIInChI=1S/C10H12O2.C9H12O.2HI.V/c1-7-4-3-5-8(2)9(7)6-10(11)12;1-7-4-3-5-8(2)9(7)6-10;;;/h3-5H,6H2,1-2H3,(H,11,12);3-5,10H,6H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyYZBYXHHXEQIJNV-UHFFFAOYSA-L
XLogP5.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.15
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol?
The IUPAC name of diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol (CID 162055260) is diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol.
What is the SMILES notation for diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol?
The canonical SMILES for diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol is Cc1cccc(C)c1CC(=O)O.Cc1cccc(C)c1CO.I[V]I.
What is the InChIKey of diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol?
The InChIKey is YZBYXHHXEQIJNV-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H12O2.C9H12O.2HI.V/c1-7-4-3-5-8(2)9(7)6-10(11)12;1-7-4-3-5-8(2)9(7)6-10;;;/h3-5H,6H2,1-2H3,(H,11,12);3-5,10H,6H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol?
diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol has a molecular weight of 605.15 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol is sourced from PubChem (CID 162055260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).