2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol

C18H21BrN2O2 — CID 3360060

IUPAC2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol
SMILESCCOc1ccc(/N=N/c2cc(C(C)(C)C)cc(Br)c2O)cc1
InChIInChI=1S/C18H21BrN2O2/c1-5-23-14-8-6-13(7-9-14)20-21-16-11-12(18(2,3)4)10-15(19)17(16)22/h6-11,22H,5H2,1-4H3/b21-20+
InChIKeyLQYXNYGWWDYIQI-QZQOTICOSA-N
MW377.28 g/mol
LogP6.27
Rot. Bonds4

About 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol

2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol (PubChem CID 3360060) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol
PubChem CID3360060
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol
SMILESCCOc1ccc(/N=N/c2cc(C(C)(C)C)cc(Br)c2O)cc1
InChIInChI=1S/C18H21BrN2O2/c1-5-23-14-8-6-13(7-9-14)20-21-16-11-12(18(2,3)4)10-15(19)17(16)22/h6-11,22H,5H2,1-4H3/b21-20+
InChIKeyLQYXNYGWWDYIQI-QZQOTICOSA-N
XLogP6.27
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 56.27
H-Bond Donors ≤ 51
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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Related Compounds

2-bromo-4-tert-butyl-6-[(4-methylphenyl)diazenyl]phenol
CID 3932071
2-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol
CID 3019160
5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid
CID 3019151
2-bromo-4-tert-butyl-6-ethylphenol
CID 12857381
4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol
CID 136794390
[3,5-bis[6-[4-[(4-ethoxyphenyl)diazenyl]phenoxy]hexoxy]phenyl]methanol
CID 101415103
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1,3-dibromo-5-[2-(3,5-dibromo-4-ethoxyphenyl)propan-2-yl]-2-methylbenzene;bis(2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol)
CID 164990435
bis[4-(4-tert-butylphenoxy)phenyl]diazene
CID 86182593
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
CID 161440425
5,17-ditert-butyl-11,23-bis[(4-methoxyphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136693847
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol?
The IUPAC name of 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol (CID 3360060) is 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol.
What is the SMILES notation for 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol?
The canonical SMILES for 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol is CCOc1ccc(/N=N/c2cc(C(C)(C)C)cc(Br)c2O)cc1.
What is the InChIKey of 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol?
The InChIKey is LQYXNYGWWDYIQI-QZQOTICOSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-5-23-14-8-6-13(7-9-14)20-21-16-11-12(18(2,3)4)10-15(19)17(16)22/h6-11,22H,5H2,1-4H3/b21-20+.
What are the key properties of 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol?
2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol has a molecular weight of 377.28 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol is sourced from PubChem (CID 3360060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).