2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol

C16H19N3O2 — CID 139983730

IUPAC2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol
SMILESCC[C@H](C)COc1cc(/N=N/c2ccncc2)ccc1O
InChIInChI=1S/C16H19N3O2/c1-3-12(2)11-21-16-10-14(4-5-15(16)20)19-18-13-6-8-17-9-7-13/h4-10,12,20H,3,11H2,1-2H3/b19-18+/t12-/m0/s1
InChIKeyZTVGYNYOXNMEMC-RUWSDDDDSA-N
MW285.35 g/mol
LogP4.63
Rot. Bonds6

About 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol

2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol (PubChem CID 139983730) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol.

Molecular Properties

Compound Name2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol
PubChem CID139983730
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol
SMILESCC[C@H](C)COc1cc(/N=N/c2ccncc2)ccc1O
InChIInChI=1S/C16H19N3O2/c1-3-12(2)11-21-16-10-14(4-5-15(16)20)19-18-13-6-8-17-9-7-13/h4-10,12,20H,3,11H2,1-2H3/b19-18+/t12-/m0/s1
InChIKeyZTVGYNYOXNMEMC-RUWSDDDDSA-N
XLogP4.63
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-[2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
CID 139983727
4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine
CID 102199068
[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
CID 20667899
[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate
CID 170432505
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896
methyl 4-(2-methylbutoxy)pyridine-3-carboxylate
CID 132587596
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
5-[(3-ethoxy-4-hydroxyphenyl)diazenyl]-2-[4-[(3-ethoxy-4-hydroxyphenyl)diazenyl]-2-sulfophenyl]benzenesulfonic acid
CID 137244001
2-methylbutyl 4-[(4-hydroxyphenyl)diazenyl]benzoate
CID 176756039
5-[2-methoxy-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
CID 102148576
(2R,8S,14S,20R)-6,12,18,24-tetrakis[(2S)-2-methylbutoxy]-2,8,14,20-tetra(undecyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-4,10,16,22-tetrol
CID 11829307
(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene
CID 132821109

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol?
The IUPAC name of 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol (CID 139983730) is 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol.
What is the SMILES notation for 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol?
The canonical SMILES for 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol is CC[C@H](C)COc1cc(/N=N/c2ccncc2)ccc1O.
What is the InChIKey of 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol?
The InChIKey is ZTVGYNYOXNMEMC-RUWSDDDDSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-12(2)11-21-16-10-14(4-5-15(16)20)19-18-13-6-8-17-9-7-13/h4-10,12,20H,3,11H2,1-2H3/b19-18+/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol?
2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol has a molecular weight of 285.35 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol is sourced from PubChem (CID 139983730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).