(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene

C17H18N2O2 — CID 71359272

IUPAC(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
SMILESC=CCCOc1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-4-13-21-17-11-7-15(8-12-17)19-18-14-5-9-16(20-2)10-6-14/h3,5-12H,1,4,13H2,2H3/b19-18+
InChIKeyRDSZNDWEBXPPKC-VHEBQXMUSA-N
MW282.34 g/mol
LogP5.07
Rot. Bonds7

About (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene

(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene (PubChem CID 71359272) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
PubChem CID71359272
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
SMILESC=CCCOc1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-4-13-21-17-11-7-15(8-12-17)19-18-14-5-9-16(20-2)10-6-14/h3,5-12H,1,4,13H2,2H3/b19-18+
InChIKeyRDSZNDWEBXPPKC-VHEBQXMUSA-N
XLogP5.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

anisole;but-3-enoxybenzene
CID 174761838
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
ethyl 4-[(4-but-3-enoxyphenyl)diazenyl]benzoate
CID 165352761
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
1-but-3-enoxy-4-tert-butylbenzene
CID 42600781
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
CID 101153259
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
CID 102225423

Frequently Asked Questions

What is the IUPAC name of (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene?
The IUPAC name of (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene (CID 71359272) is (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene.
What is the SMILES notation for (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene?
The canonical SMILES for (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene is C=CCCOc1ccc(/N=N/c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene?
The InChIKey is RDSZNDWEBXPPKC-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-4-13-21-17-11-7-15(8-12-17)19-18-14-5-9-16(20-2)10-6-14/h3,5-12H,1,4,13H2,2H3/b19-18+.
What are the key properties of (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene?
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene has a molecular weight of 282.34 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene is sourced from PubChem (CID 71359272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).