ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol

C17H26N2O — CID 136657153

IUPACethane;2-(propan-2-yldiazenyl)naphthalen-1-ol
SMILESCC.CC.CC(C)/N=N/c1ccc2ccccc2c1O
InChIInChI=1S/C13H14N2O.2C2H6/c1-9(2)14-15-12-8-7-10-5-3-4-6-11(10)13(12)16;2*1-2/h3-9,16H,1-2H3;2*1-2H3/b15-14+;;
InChIKeyQSUVNVKHYQUVHP-NSKUCRDLSA-N
MW274.41 g/mol
LogP6.09
Rot. Bonds2

About ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol

ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol (PubChem CID 136657153) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol.

Molecular Properties

Compound Nameethane;2-(propan-2-yldiazenyl)naphthalen-1-ol
PubChem CID136657153
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Nameethane;2-(propan-2-yldiazenyl)naphthalen-1-ol
SMILESCC.CC.CC(C)/N=N/c1ccc2ccccc2c1O
InChIInChI=1S/C13H14N2O.2C2H6/c1-9(2)14-15-12-8-7-10-5-3-4-6-11(10)13(12)16;2*1-2/h3-9,16H,1-2H3;2*1-2H3/b15-14+;;
InChIKeyQSUVNVKHYQUVHP-NSKUCRDLSA-N
XLogP6.09
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 56.09
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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Related Compounds

2-[(2-hydroxyphenyl)diazenyl]naphthalen-1-ol
CID 135744709
2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol
CID 136968902
2-[(4-bromophenyl)diazenyl]naphthalen-1-ol
CID 3802677
2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol
CID 135740067
2-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol
CID 3019160
2-aminonaphthalen-1-ol;ethane
CID 143085377
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol?
The IUPAC name of ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol (CID 136657153) is ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol.
What is the SMILES notation for ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol?
The canonical SMILES for ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol is CC.CC.CC(C)/N=N/c1ccc2ccccc2c1O.
What is the InChIKey of ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol?
The InChIKey is QSUVNVKHYQUVHP-NSKUCRDLSA-N. The full InChI is InChI=1S/C13H14N2O.2C2H6/c1-9(2)14-15-12-8-7-10-5-3-4-6-11(10)13(12)16;2*1-2/h3-9,16H,1-2H3;2*1-2H3/b15-14+;;.
What are the key properties of ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol?
ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol has a molecular weight of 274.41 g/mol, XLogP of 6.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(propan-2-yldiazenyl)naphthalen-1-ol is sourced from PubChem (CID 136657153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).