1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol

C18H16N2O2 — CID 22918

IUPAC1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol
SMILESCOc1ccc(C)cc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O2/c1-12-7-10-17(22-2)15(11-12)19-20-18-14-6-4-3-5-13(14)8-9-16(18)21/h3-11,21H,1-2H3/b20-19+
InChIKeyGWDHYAASZOWIJD-FMQUCBEESA-N
MW292.34 g/mol
LogP5.28
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol

1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol (PubChem CID 22918) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol
PubChem CID22918
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol
SMILESCOc1ccc(C)cc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O2/c1-12-7-10-17(22-2)15(11-12)19-20-18-14-6-4-3-5-13(14)8-9-16(18)21/h3-11,21H,1-2H3/b20-19+
InChIKeyGWDHYAASZOWIJD-FMQUCBEESA-N
XLogP5.28
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol (CID 22918) is 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol is COc1ccc(C)cc1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is GWDHYAASZOWIJD-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-10-17(22-2)15(11-12)19-20-18-14-6-4-3-5-13(14)8-9-16(18)21/h3-11,21H,1-2H3/b20-19+.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol?
1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 292.34 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 22918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).