2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol

C15H12N2OS — CID 916163

IUPAC2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol
SMILESCc1ccc(/N=N/c2sc3ccccc3c2O)cc1
InChIInChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)16-17-15-14(18)12-4-2-3-5-13(12)19-15/h2-9,18H,1H3/b17-16+
InChIKeyAOBDLKHPTBBUAL-WUKNDPDISA-N
MW268.34 g/mol
LogP5.33
Rot. Bonds2

About 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol

2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol (PubChem CID 916163) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol
PubChem CID916163
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol
SMILESCc1ccc(/N=N/c2sc3ccccc3c2O)cc1
InChIInChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)16-17-15-14(18)12-4-2-3-5-13(12)19-15/h2-9,18H,1H3/b17-16+
InChIKeyAOBDLKHPTBBUAL-WUKNDPDISA-N
XLogP5.33
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol?
The IUPAC name of 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol (CID 916163) is 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol.
What is the SMILES notation for 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol?
The canonical SMILES for 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol is Cc1ccc(/N=N/c2sc3ccccc3c2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol?
The InChIKey is AOBDLKHPTBBUAL-WUKNDPDISA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)16-17-15-14(18)12-4-2-3-5-13(12)19-15/h2-9,18H,1H3/b17-16+.
What are the key properties of 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol?
2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol has a molecular weight of 268.34 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol is sourced from PubChem (CID 916163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).