2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium

C15H11N2O+ — CID 101251401

IUPAC2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium
SMILESCOc1ccc(C#Cc2ccccc2[N+]#N)cc1
InChIInChI=1S/C15H11N2O/c1-18-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)17-16/h2-5,7-8,10-11H,1H3/q+1
InChIKeyODZIORICNAUPTN-UHFFFAOYSA-N
MW235.27 g/mol
LogP3.58
Rot. Bonds1

About 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium

2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium (PubChem CID 101251401) has the molecular formula C15H11N2O+ and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium
PubChem CID101251401
Molecular FormulaC15H11N2O+
Molecular Weight235.27 g/mol
Exact Mass235.09
IUPAC Name2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium
SMILESCOc1ccc(C#Cc2ccccc2[N+]#N)cc1
InChIInChI=1S/C15H11N2O/c1-18-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)17-16/h2-5,7-8,10-11H,1H3/q+1
InChIKeyODZIORICNAUPTN-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-diphenylphosphane
CID 158970449
1-[2-(4-methoxyphenyl)ethynyl]-2-nitrobenzene
CID 11288232
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]urea
CID 102421213
2-(4-methoxyphenoxy)benzenediazonium
CID 10358242
2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
CID 102153351
2-(4-methoxyphenyl)ethynyl-triphenylphosphanium
CID 23415442
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811
1-(cyclopropylidenemethyl)-2-[2-(4-methoxyphenyl)ethynyl]benzene
CID 135073387
2-(4-methoxyphenyl)-3-(2-phenylethynyl)aniline
CID 141396023
1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene
CID 102406855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium (CID 101251401) is 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium is COc1ccc(C#Cc2ccccc2[N+]#N)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium?
The InChIKey is ODZIORICNAUPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2O/c1-18-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)17-16/h2-5,7-8,10-11H,1H3/q+1.
What are the key properties of 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium?
2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium has a molecular weight of 235.27 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium is sourced from PubChem (CID 101251401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).