(4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene

C19H15BrN2O — CID 135027475

IUPAC(4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene
SMILESC=CCOc1ccc2ccccc2c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O/c1-2-13-23-18-12-7-14-5-3-4-6-17(14)19(18)22-21-16-10-8-15(20)9-11-16/h2-12H,1,13H2/b22-21+
InChIKeyLJTKLZMYMFXGPX-QURGRASLSA-N
MW367.25 g/mol
LogP6.58
Rot. Bonds5

About (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene

(4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene (PubChem CID 135027475) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene
PubChem CID135027475
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name(4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene
SMILESC=CCOc1ccc2ccccc2c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O/c1-2-13-23-18-12-7-14-5-3-4-6-17(14)19(18)22-21-16-10-8-15(20)9-11-16/h2-12H,1,13H2/b22-21+
InChIKeyLJTKLZMYMFXGPX-QURGRASLSA-N
XLogP6.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene?
The IUPAC name of (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene (CID 135027475) is (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene.
What is the SMILES notation for (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene?
The canonical SMILES for (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene is C=CCOc1ccc2ccccc2c1/N=N/c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene?
The InChIKey is LJTKLZMYMFXGPX-QURGRASLSA-N. The full InChI is InChI=1S/C19H15BrN2O/c1-2-13-23-18-12-7-14-5-3-4-6-17(14)19(18)22-21-16-10-8-15(20)9-11-16/h2-12H,1,13H2/b22-21+.
What are the key properties of (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene?
(4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene has a molecular weight of 367.25 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-prop-2-enoxynaphthalen-1-yl)diazene is sourced from PubChem (CID 135027475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).