(2-methoxy-3-phenylphenyl)-phenyldiazene

C19H16N2O — CID 21342365

IUPAC(2-methoxy-3-phenylphenyl)-phenyldiazene
SMILESCOc1c(/N=N/c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H16N2O/c1-22-19-17(15-9-4-2-5-10-15)13-8-14-18(19)21-20-16-11-6-3-7-12-16/h2-14H,1H3/b21-20+
InChIKeyAZGVMKBKKSGEBI-QZQOTICOSA-N
MW288.35 g/mol
LogP5.78
Rot. Bonds4

About (2-methoxy-3-phenylphenyl)-phenyldiazene

(2-methoxy-3-phenylphenyl)-phenyldiazene (PubChem CID 21342365) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (2-methoxy-3-phenylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(2-methoxy-3-phenylphenyl)-phenyldiazene
PubChem CID21342365
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(2-methoxy-3-phenylphenyl)-phenyldiazene
SMILESCOc1c(/N=N/c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H16N2O/c1-22-19-17(15-9-4-2-5-10-15)13-8-14-18(19)21-20-16-11-6-3-7-12-16/h2-14H,1H3/b21-20+
InChIKeyAZGVMKBKKSGEBI-QZQOTICOSA-N
XLogP5.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.78
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 (2-methoxy-3-phenylphenyl)-phenyldiazene?
The IUPAC name of (2-methoxy-3-phenylphenyl)-phenyldiazene (CID 21342365) is (2-methoxy-3-phenylphenyl)-phenyldiazene.
What is the SMILES notation for (2-methoxy-3-phenylphenyl)-phenyldiazene?
The canonical SMILES for (2-methoxy-3-phenylphenyl)-phenyldiazene is COc1c(/N=N/c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of (2-methoxy-3-phenylphenyl)-phenyldiazene?
The InChIKey is AZGVMKBKKSGEBI-QZQOTICOSA-N. The full InChI is InChI=1S/C19H16N2O/c1-22-19-17(15-9-4-2-5-10-15)13-8-14-18(19)21-20-16-11-6-3-7-12-16/h2-14H,1H3/b21-20+.
What are the key properties of (2-methoxy-3-phenylphenyl)-phenyldiazene?
(2-methoxy-3-phenylphenyl)-phenyldiazene has a molecular weight of 288.35 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-phenylphenyl)-phenyldiazene is sourced from PubChem (CID 21342365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).