3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol

C13H9Cl3N2O2 — CID 136695317

IUPAC3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol
SMILESCOc1ccc(/N=N/c2c(O)c(Cl)cc(Cl)c2Cl)cc1
InChIInChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-7(3-5-8)17-18-12-11(16)9(14)6-10(15)13(12)19/h2-6,19H,1H3/b18-17+
InChIKeyRKAZGKSYOXHWLX-ISLYRVAYSA-N
MW331.59 g/mol
LogP5.78
Rot. Bonds3

About 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol

3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol (PubChem CID 136695317) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol
PubChem CID136695317
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol
SMILESCOc1ccc(/N=N/c2c(O)c(Cl)cc(Cl)c2Cl)cc1
InChIInChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-7(3-5-8)17-18-12-11(16)9(14)6-10(15)13(12)19/h2-6,19H,1H3/b18-17+
InChIKeyRKAZGKSYOXHWLX-ISLYRVAYSA-N
XLogP5.78
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 55.78
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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4,6-trichloro-2-[(4-nitrophenyl)diazenyl]phenol
CID 136695318
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135709862
(4-methoxyphenyl)-methyldiazene
CID 20589170
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene
CID 154723195
2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 112820912
2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol
CID 71544063
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
CID 135456776
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol?
The IUPAC name of 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol (CID 136695317) is 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol.
What is the SMILES notation for 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol?
The canonical SMILES for 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol is COc1ccc(/N=N/c2c(O)c(Cl)cc(Cl)c2Cl)cc1.
What is the InChIKey of 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol?
The InChIKey is RKAZGKSYOXHWLX-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-7(3-5-8)17-18-12-11(16)9(14)6-10(15)13(12)19/h2-6,19H,1H3/b18-17+.
What are the key properties of 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol?
3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol has a molecular weight of 331.59 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol is sourced from PubChem (CID 136695317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).