2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol

C17H14N2O2 — CID 135442101

IUPAC2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol
SMILESCOc1cccc(/N=N/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C17H14N2O2/c1-21-14-7-4-6-13(11-14)18-19-16-10-9-12-5-2-3-8-15(12)17(16)20/h2-11,20H,1H3/b19-18+
InChIKeyNYYNVKONGLWQQD-VHEBQXMUSA-N
MW278.31 g/mol
LogP4.97
Rot. Bonds3

About 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol

2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol (PubChem CID 135442101) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol
PubChem CID135442101
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol
SMILESCOc1cccc(/N=N/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C17H14N2O2/c1-21-14-7-4-6-13(11-14)18-19-16-10-9-12-5-2-3-8-15(12)17(16)20/h2-11,20H,1H3/b19-18+
InChIKeyNYYNVKONGLWQQD-VHEBQXMUSA-N
XLogP4.97
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.97
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 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol (CID 135442101) is 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol is COc1cccc(/N=N/c2ccc3ccccc3c2O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol?
The InChIKey is NYYNVKONGLWQQD-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-14-7-4-6-13(11-14)18-19-16-10-9-12-5-2-3-8-15(12)17(16)20/h2-11,20H,1H3/b19-18+.
What are the key properties of 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol?
2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol has a molecular weight of 278.31 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 135442101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).