4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol

C13H19N3O — CID 142108532

IUPAC4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol
SMILESC=CN(CCCCc1ccc(O)cc1)/N=N/C
InChIInChI=1S/C13H19N3O/c1-3-16(15-14-2)11-5-4-6-12-7-9-13(17)10-8-12/h3,7-10,17H,1,4-6,11H2,2H3/b15-14+
InChIKeyNMKMFUUBFOTHNY-CCEZHUSRSA-N
MW233.32 g/mol
LogP3.16
Rot. Bonds7

About 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol

4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol (PubChem CID 142108532) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol
PubChem CID142108532
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol
SMILESC=CN(CCCCc1ccc(O)cc1)/N=N/C
InChIInChI=1S/C13H19N3O/c1-3-16(15-14-2)11-5-4-6-12-7-9-13(17)10-8-12/h3,7-10,17H,1,4-6,11H2,2H3/b15-14+
InChIKeyNMKMFUUBFOTHNY-CCEZHUSRSA-N
XLogP3.16
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-tetradec-13-enylphenol
CID 157380665
4-hept-5-enylphenol
CID 66787200
3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane
CID 143008790
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-(6-iodohexyl)phenol
CID 23455799
N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide
CID 142480219
methanolate;nickel(3+);4-octylphenol
CID 159960852
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
tris(4-octylphenol);propane
CID 90866185
4-(4,4-dimethylpentyl)phenol
CID 20692467
CID 162318522
CID 162318522

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol?
The IUPAC name of 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol (CID 142108532) is 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol.
What is the SMILES notation for 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol?
The canonical SMILES for 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol is C=CN(CCCCc1ccc(O)cc1)/N=N/C.
What is the InChIKey of 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol?
The InChIKey is NMKMFUUBFOTHNY-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-16(15-14-2)11-5-4-6-12-7-9-13(17)10-8-12/h3,7-10,17H,1,4-6,11H2,2H3/b15-14+.
What are the key properties of 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol?
4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol has a molecular weight of 233.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol is sourced from PubChem (CID 142108532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).