benzyl-(1-methoxy-1-phenylethyl)diazene

C16H18N2O — CID 14685409

IUPACbenzyl-(1-methoxy-1-phenylethyl)diazene
SMILESCOC(C)(/N=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-16(19-2,15-11-7-4-8-12-15)18-17-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b18-17+
InChIKeySNAMGEOSALSWGW-ISLYRVAYSA-N
MW254.33 g/mol
LogP4.16
Rot. Bonds5

About benzyl-(1-methoxy-1-phenylethyl)diazene

benzyl-(1-methoxy-1-phenylethyl)diazene (PubChem CID 14685409) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is benzyl-(1-methoxy-1-phenylethyl)diazene.

Molecular Properties

Compound Namebenzyl-(1-methoxy-1-phenylethyl)diazene
PubChem CID14685409
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Namebenzyl-(1-methoxy-1-phenylethyl)diazene
SMILESCOC(C)(/N=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-16(19-2,15-11-7-4-8-12-15)18-17-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b18-17+
InChIKeySNAMGEOSALSWGW-ISLYRVAYSA-N
XLogP4.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.16
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'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-(1-methoxy-1-phenylethyl)diazene?
The IUPAC name of benzyl-(1-methoxy-1-phenylethyl)diazene (CID 14685409) is benzyl-(1-methoxy-1-phenylethyl)diazene.
What is the SMILES notation for benzyl-(1-methoxy-1-phenylethyl)diazene?
The canonical SMILES for benzyl-(1-methoxy-1-phenylethyl)diazene is COC(C)(/N=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-(1-methoxy-1-phenylethyl)diazene?
The InChIKey is SNAMGEOSALSWGW-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(19-2,15-11-7-4-8-12-15)18-17-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b18-17+.
What are the key properties of benzyl-(1-methoxy-1-phenylethyl)diazene?
benzyl-(1-methoxy-1-phenylethyl)diazene has a molecular weight of 254.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(1-methoxy-1-phenylethyl)diazene is sourced from PubChem (CID 14685409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).