2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol

C16H11ClN2O2 — CID 135740067

IUPAC2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol
SMILESOc1c(Cl)cccc1/N=N/c1ccc2ccccc2c1O
InChIInChI=1S/C16H11ClN2O2/c17-12-6-3-7-13(16(12)21)18-19-14-9-8-10-4-1-2-5-11(10)15(14)20/h1-9,20-21H/b19-18+
InChIKeyWKAYSHGFHMUTMY-VHEBQXMUSA-N
MW298.73 g/mol
LogP5.32
Rot. Bonds2

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

2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol (PubChem CID 135740067) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol
PubChem CID135740067
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol
SMILESOc1c(Cl)cccc1/N=N/c1ccc2ccccc2c1O
InChIInChI=1S/C16H11ClN2O2/c17-12-6-3-7-13(16(12)21)18-19-14-9-8-10-4-1-2-5-11(10)15(14)20/h1-9,20-21H/b19-18+
InChIKeyWKAYSHGFHMUTMY-VHEBQXMUSA-N
XLogP5.32
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.73
LogP ≤ 55.32
H-Bond Donors ≤ 52
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-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol (CID 135740067) is 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol is Oc1c(Cl)cccc1/N=N/c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol?
The InChIKey is WKAYSHGFHMUTMY-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-6-3-7-13(16(12)21)18-19-14-9-8-10-4-1-2-5-11(10)15(14)20/h1-9,20-21H/b19-18+.
What are the key properties of 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol?
2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol has a molecular weight of 298.73 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 135740067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).