(Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium

C9H8BrN2O2+ — CID 11482228

IUPAC(Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium
SMILESCO/C(O)=C(\[N+]#N)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)8(12-11)6-2-4-7(10)5-3-6/h2-5H,1H3/p+1/b9-8-
InChIKeyKAWBXRZMMASSLM-HJWRWDBZSA-O
MW256.08 g/mol
LogP3.13
Rot. Bonds2

About (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium

(Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium (PubChem CID 11482228) has the molecular formula C9H8BrN2O2+ and a molecular weight of 256.08 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium
PubChem CID11482228
Molecular FormulaC9H8BrN2O2+
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name(Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium
SMILESCO/C(O)=C(\[N+]#N)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)8(12-11)6-2-4-7(10)5-3-6/h2-5H,1H3/p+1/b9-8-
InChIKeyKAWBXRZMMASSLM-HJWRWDBZSA-O
XLogP3.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 53.13
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'}

Analyze (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol
CID 101242057
4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol
CID 162401936
(Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium
CID 11095149
(1E,3E)-4-(4-bromophenyl)-1-hydroxy-1-methoxybuta-1,3-diene-2-diazonium
CID 11357978
(Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium
CID 11735639
(Z)-1-(2-bromophenyl)-2-hydroxy-2-methoxyethenediazonium
CID 11984233
(E)-1-(4-bromophenyl)-2-hydroxy-5-methylhex-1-ene-1-diazonium
CID 16216040

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium?
The IUPAC name of (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium (CID 11482228) is (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium?
The canonical SMILES for (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium is CO/C(O)=C(\[N+]#N)c1ccc(Br)cc1.
What is the InChIKey of (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium?
The InChIKey is KAWBXRZMMASSLM-HJWRWDBZSA-O. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-9(13)8(12-11)6-2-4-7(10)5-3-6/h2-5H,1H3/p+1/b9-8-.
What are the key properties of (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium?
(Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium has a molecular weight of 256.08 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium is sourced from PubChem (CID 11482228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).