(1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium

C12H13N2O2+ — CID 11063834

IUPAC(1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium
SMILESCO/C(O)=C(/C=C(\C)c1ccccc1)[N+]#N
InChIInChI=1S/C12H12N2O2/c1-9(10-6-4-3-5-7-10)8-11(14-13)12(15)16-2/h3-8H,1-2H3/p+1/b9-8+,12-11-
InChIKeyVFWMKISKHBLMDJ-UPDVNHGHSA-O
MW217.25 g/mol
LogP3.32
Rot. Bonds3

About (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium

(1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium (PubChem CID 11063834) has the molecular formula C12H13N2O2+ and a molecular weight of 217.25 g/mol. Its IUPAC name is (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium.

Molecular Properties

Compound Name(1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium
PubChem CID11063834
Molecular FormulaC12H13N2O2+
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name(1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium
SMILESCO/C(O)=C(/C=C(\C)c1ccccc1)[N+]#N
InChIInChI=1S/C12H12N2O2/c1-9(10-6-4-3-5-7-10)8-11(14-13)12(15)16-2/h3-8H,1-2H3/p+1/b9-8+,12-11-
InChIKeyVFWMKISKHBLMDJ-UPDVNHGHSA-O
XLogP3.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium?
The IUPAC name of (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium (CID 11063834) is (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium.
What is the SMILES notation for (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium?
The canonical SMILES for (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium is CO/C(O)=C(/C=C(\C)c1ccccc1)[N+]#N.
What is the InChIKey of (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium?
The InChIKey is VFWMKISKHBLMDJ-UPDVNHGHSA-O. The full InChI is InChI=1S/C12H12N2O2/c1-9(10-6-4-3-5-7-10)8-11(14-13)12(15)16-2/h3-8H,1-2H3/p+1/b9-8+,12-11-.
What are the key properties of (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium?
(1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium has a molecular weight of 217.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-hydroxy-1-methoxy-4-phenylpenta-1,3-diene-2-diazonium is sourced from PubChem (CID 11063834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).