2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol

C19H22N2O — CID 137098307

IUPAC2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol
SMILESCC(C)(C)c1cccc(/N=N/c2cccc3c2CCC3)c1O
InChIInChI=1S/C19H22N2O/c1-19(2,3)15-10-6-12-17(18(15)22)21-20-16-11-5-8-13-7-4-9-14(13)16/h5-6,8,10-12,22H,4,7,9H2,1-3H3/b21-20+
InChIKeyJAYXNKUPFRBBRQ-QZQOTICOSA-N
MW294.40 g/mol
LogP5.59
Rot. Bonds2

About 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol

2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol (PubChem CID 137098307) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol
PubChem CID137098307
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol
SMILESCC(C)(C)c1cccc(/N=N/c2cccc3c2CCC3)c1O
InChIInChI=1S/C19H22N2O/c1-19(2,3)15-10-6-12-17(18(15)22)21-20-16-11-5-8-13-7-4-9-14(13)16/h5-6,8,10-12,22H,4,7,9H2,1-3H3/b21-20+
InChIKeyJAYXNKUPFRBBRQ-QZQOTICOSA-N
XLogP5.59
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.59
H-Bond Donors ≤ 51
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 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol?
The IUPAC name of 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol (CID 137098307) is 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol?
The canonical SMILES for 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol is CC(C)(C)c1cccc(/N=N/c2cccc3c2CCC3)c1O.
What is the InChIKey of 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol?
The InChIKey is JAYXNKUPFRBBRQ-QZQOTICOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2,3)15-10-6-12-17(18(15)22)21-20-16-11-5-8-13-7-4-9-14(13)16/h5-6,8,10-12,22H,4,7,9H2,1-3H3/b21-20+.
What are the key properties of 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol?
2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol has a molecular weight of 294.40 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol is sourced from PubChem (CID 137098307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).