diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone

C12H16I2O2V — CID 159831301

IUPACdiiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone
SMILESCC(=O)c1c(C)c(C)c(C)c(C)c1O.I[V]I
InChIInChI=1S/C12H16O2.2HI.V/c1-6-7(2)9(4)12(14)11(8(6)3)10(5)13;;;/h14H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyNNMNCZOEIIUPDO-UHFFFAOYSA-L
MW497.01 g/mol
LogP4.60
Rot. Bonds1

About diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone

diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone (PubChem CID 159831301) has the molecular formula C12H16I2O2V and a molecular weight of 497.01 g/mol. Its IUPAC name is diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone.

Molecular Properties

Compound Namediiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone
PubChem CID159831301
Molecular FormulaC12H16I2O2V
Molecular Weight497.01 g/mol
Exact Mass496.87
IUPAC Namediiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone
SMILESCC(=O)c1c(C)c(C)c(C)c(C)c1O.I[V]I
InChIInChI=1S/C12H16O2.2HI.V/c1-6-7(2)9(4)12(14)11(8(6)3)10(5)13;;;/h14H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyNNMNCZOEIIUPDO-UHFFFAOYSA-L
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
CID 174405898
2-acetyl-3-methylcycloprop-2-en-1-one
CID 164818342
1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone
CID 82607397
methyl 3-acetyl-2-hydroxy-4,5-dimethylbenzoate
CID 165349168
1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
CID 134554334
1-(3,6-dihydroxy-2,4-dimethylphenyl)ethanone
CID 12523113
2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid
CID 26437134
4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid
CID 90345911
(2-hydroxy-3,4,5,6-tetramethylphenyl) hydrogen carbonate
CID 87859849
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
CID 19004302
bis(iron(3+));tris(2,3,5,6-tetramethylterephthalate)
CID 160653230

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone?
The IUPAC name of diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone (CID 159831301) is diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone.
What is the SMILES notation for diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone?
The canonical SMILES for diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone is CC(=O)c1c(C)c(C)c(C)c(C)c1O.I[V]I.
What is the InChIKey of diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone?
The InChIKey is NNMNCZOEIIUPDO-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H16O2.2HI.V/c1-6-7(2)9(4)12(14)11(8(6)3)10(5)13;;;/h14H,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone?
diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone has a molecular weight of 497.01 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone is sourced from PubChem (CID 159831301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).