2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol

C12H7Cl3N2O2 — CID 137077002

IUPAC2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol
SMILESOc1ccc(Cl)cc1/N=N/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H7Cl3N2O2/c13-6-1-2-11(18)9(4-6)16-17-10-5-7(14)3-8(15)12(10)19/h1-5,18-19H/b17-16+
InChIKeyRQMDMVIPFZKYCS-WUKNDPDISA-N
MW317.56 g/mol
LogP5.47
Rot. Bonds2

About 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol

2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol (PubChem CID 137077002) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol
PubChem CID137077002
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol
SMILESOc1ccc(Cl)cc1/N=N/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H7Cl3N2O2/c13-6-1-2-11(18)9(4-6)16-17-10-5-7(14)3-8(15)12(10)19/h1-5,18-19H/b17-16+
InChIKeyRQMDMVIPFZKYCS-WUKNDPDISA-N
XLogP5.47
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 55.47
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol (CID 137077002) is 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol is Oc1ccc(Cl)cc1/N=N/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol?
The InChIKey is RQMDMVIPFZKYCS-WUKNDPDISA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-6-1-2-11(18)9(4-6)16-17-10-5-7(14)3-8(15)12(10)19/h1-5,18-19H/b17-16+.
What are the key properties of 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol?
2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol has a molecular weight of 317.56 g/mol, XLogP of 5.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol is sourced from PubChem (CID 137077002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).