5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium

C20H22N4O2+2 — CID 71358313

IUPAC5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium
SMILESCc1cc(C2(c3cc(C)c(O)c([N+]#N)c3)CCCCC2)cc([N+]#N)c1O
InChIInChI=1S/C20H20N4O2/c1-12-8-14(10-16(23-21)18(12)25)20(6-4-3-5-7-20)15-9-13(2)19(26)17(11-15)24-22/h8-11H,3-7H2,1-2H3/p+2
InChIKeyGHDHVSULUMAHFV-UHFFFAOYSA-P
MW350.42 g/mol
LogP5.93
Rot. Bonds2

About 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium

5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium (PubChem CID 71358313) has the molecular formula C20H22N4O2+2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium.

Molecular Properties

Compound Name5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium
PubChem CID71358313
Molecular FormulaC20H22N4O2+2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium
SMILESCc1cc(C2(c3cc(C)c(O)c([N+]#N)c3)CCCCC2)cc([N+]#N)c1O
InChIInChI=1S/C20H20N4O2/c1-12-8-14(10-16(23-21)18(12)25)20(6-4-3-5-7-20)15-9-13(2)19(26)17(11-15)24-22/h8-11H,3-7H2,1-2H3/p+2
InChIKeyGHDHVSULUMAHFV-UHFFFAOYSA-P
XLogP5.93
TPSA96.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium?
The IUPAC name of 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium (CID 71358313) is 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium.
What is the SMILES notation for 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium?
The canonical SMILES for 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium is Cc1cc(C2(c3cc(C)c(O)c([N+]#N)c3)CCCCC2)cc([N+]#N)c1O.
What is the InChIKey of 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium?
The InChIKey is GHDHVSULUMAHFV-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H20N4O2/c1-12-8-14(10-16(23-21)18(12)25)20(6-4-3-5-7-20)15-9-13(2)19(26)17(11-15)24-22/h8-11H,3-7H2,1-2H3/p+2.
What are the key properties of 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium?
5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium has a molecular weight of 350.42 g/mol, XLogP of 5.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium is sourced from PubChem (CID 71358313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).