(3-methoxyphenyl)-naphthalen-1-yldiazene

C17H14N2O — CID 581662

IUPAC(3-methoxyphenyl)-naphthalen-1-yldiazene
SMILESCOc1cccc(/N=N/c2cccc3ccccc23)c1
InChIInChI=1S/C17H14N2O/c1-20-15-9-5-8-14(12-15)18-19-17-11-4-7-13-6-2-3-10-16(13)17/h2-12H,1H3/b19-18+
InChIKeyALNBIVLFHZALMH-VHEBQXMUSA-N
MW262.31 g/mol
LogP5.26
Rot. Bonds3

About (3-methoxyphenyl)-naphthalen-1-yldiazene

(3-methoxyphenyl)-naphthalen-1-yldiazene (PubChem CID 581662) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-methoxyphenyl)-naphthalen-1-yldiazene.

Molecular Properties

Compound Name(3-methoxyphenyl)-naphthalen-1-yldiazene
PubChem CID581662
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(3-methoxyphenyl)-naphthalen-1-yldiazene
SMILESCOc1cccc(/N=N/c2cccc3ccccc23)c1
InChIInChI=1S/C17H14N2O/c1-20-15-9-5-8-14(12-15)18-19-17-11-4-7-13-6-2-3-10-16(13)17/h2-12H,1H3/b19-18+
InChIKeyALNBIVLFHZALMH-VHEBQXMUSA-N
XLogP5.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.31
LogP ≤ 55.26
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 (3-methoxyphenyl)-naphthalen-1-yldiazene?
The IUPAC name of (3-methoxyphenyl)-naphthalen-1-yldiazene (CID 581662) is (3-methoxyphenyl)-naphthalen-1-yldiazene.
What is the SMILES notation for (3-methoxyphenyl)-naphthalen-1-yldiazene?
The canonical SMILES for (3-methoxyphenyl)-naphthalen-1-yldiazene is COc1cccc(/N=N/c2cccc3ccccc23)c1.
What is the InChIKey of (3-methoxyphenyl)-naphthalen-1-yldiazene?
The InChIKey is ALNBIVLFHZALMH-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O/c1-20-15-9-5-8-14(12-15)18-19-17-11-4-7-13-6-2-3-10-16(13)17/h2-12H,1H3/b19-18+.
What are the key properties of (3-methoxyphenyl)-naphthalen-1-yldiazene?
(3-methoxyphenyl)-naphthalen-1-yldiazene has a molecular weight of 262.31 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-naphthalen-1-yldiazene is sourced from PubChem (CID 581662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).