2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol

C18H12Cl2N2O — CID 5107707

IUPAC2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1/N=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2N2O/c19-15-8-7-14(11-16(15)20)21-22-17-10-13(6-9-18(17)23)12-4-2-1-3-5-12/h1-11,23H/b22-21+
InChIKeyCILYUTMCALPFNN-QURGRASLSA-N
MW343.21 g/mol
LogP6.78
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol

2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol (PubChem CID 5107707) has the molecular formula C18H12Cl2N2O and a molecular weight of 343.21 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol
PubChem CID5107707
Molecular FormulaC18H12Cl2N2O
Molecular Weight343.21 g/mol
Exact Mass342.03
IUPAC Name2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1/N=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2N2O/c19-15-8-7-14(11-16(15)20)21-22-17-10-13(6-9-18(17)23)12-4-2-1-3-5-12/h1-11,23H/b22-21+
InChIKeyCILYUTMCALPFNN-QURGRASLSA-N
XLogP6.78
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 56.78
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

4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol
CID 136794511
CID 170845690
CID 170845690
2-[(2,4-dichlorophenyl)methylideneamino]-4-phenylphenol
CID 4059115
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
4-chloro-5-methyl-2-phenyldiazenylphenol
CID 135930261
4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
CID 102029732
4-(3,4-dichlorophenyl)phenol
CID 6452909
2-phenyldiazenylphenol
CID 16897
2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol
CID 161415012
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
1,1'-biphenyl;2-chlorophenol
CID 174555563
4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
CID 136913309

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol?
The IUPAC name of 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol (CID 5107707) is 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1/N=N/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol?
The InChIKey is CILYUTMCALPFNN-QURGRASLSA-N. The full InChI is InChI=1S/C18H12Cl2N2O/c19-15-8-7-14(11-16(15)20)21-22-17-10-13(6-9-18(17)23)12-4-2-1-3-5-12/h1-11,23H/b22-21+.
What are the key properties of 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol?
2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol has a molecular weight of 343.21 g/mol, XLogP of 6.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol is sourced from PubChem (CID 5107707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).