azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium

C10H18NO5V — CID 87380509

IUPACazanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium
SMILESCC(C)(C)c1ccc(O)c(O)c1.O=[V](=O)[O-].[NH4+]
InChIInChI=1S/C10H14O2.H3N.3O.V/c1-10(2,3)7-4-5-8(11)9(12)6-7;;;;;/h4-6,11-12H,1-3H3;1H3;;;;/q;;;;-1;/p+1
InChIKeyBMNOJGJNQPVFBI-UHFFFAOYSA-O
MW283.20 g/mol
LogP1.34
Rot. Bonds

About azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium

azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium (PubChem CID 87380509) has the molecular formula C10H18NO5V and a molecular weight of 283.20 g/mol. Its IUPAC name is azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium.

Molecular Properties

Compound Nameazanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium
PubChem CID87380509
Molecular FormulaC10H18NO5V
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Nameazanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium
SMILESCC(C)(C)c1ccc(O)c(O)c1.O=[V](=O)[O-].[NH4+]
InChIInChI=1S/C10H14O2.H3N.3O.V/c1-10(2,3)7-4-5-8(11)9(12)6-7;;;;;/h4-6,11-12H,1-3H3;1H3;;;;/q;;;;-1;/p+1
InChIKeyBMNOJGJNQPVFBI-UHFFFAOYSA-O
XLogP1.34
TPSA134.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-tert-butylbenzene-1,2-diol;phenol
CID 160621546
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
4-tert-butyl-2-fluorophenol
CID 11062790
4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
CID 125479229
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
4-(1-amino-2-fluoropropan-2-yl)benzene-1,2-diol
CID 105425989
4-(2,2,3,5,5-pentamethylhexan-3-yl)benzene-1,2-diol
CID 146600611
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086

Frequently Asked Questions

What is the IUPAC name of azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium?
The IUPAC name of azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium (CID 87380509) is azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium.
What is the SMILES notation for azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium?
The canonical SMILES for azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium is CC(C)(C)c1ccc(O)c(O)c1.O=[V](=O)[O-].[NH4+].
What is the InChIKey of azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium?
The InChIKey is BMNOJGJNQPVFBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14O2.H3N.3O.V/c1-10(2,3)7-4-5-8(11)9(12)6-7;;;;;/h4-6,11-12H,1-3H3;1H3;;;;/q;;;;-1;/p+1.
What are the key properties of azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium?
azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium has a molecular weight of 283.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium is sourced from PubChem (CID 87380509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).