2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol

C20H16ClN3O2 — CID 135810322

IUPAC2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol
SMILESCc1cccc(/N=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)c1O
InChIInChI=1S/C20H16ClN3O2/c1-13-4-2-7-18(20(13)26)22-12-14-10-17(8-9-19(14)25)24-23-16-6-3-5-15(21)11-16/h2-12,25-26H,1H3/b22-12+,24-23+
InChIKeyUKRKTTLIUYSKTM-OBMCKAMCSA-N
MW365.82 g/mol
LogP6.23
Rot. Bonds4

About 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol

2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol (PubChem CID 135810322) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol.

Molecular Properties

Compound Name2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol
PubChem CID135810322
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol
SMILESCc1cccc(/N=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)c1O
InChIInChI=1S/C20H16ClN3O2/c1-13-4-2-7-18(20(13)26)22-12-14-10-17(8-9-19(14)25)24-23-16-6-3-5-15(21)11-16/h2-12,25-26H,1H3/b22-12+,24-23+
InChIKeyUKRKTTLIUYSKTM-OBMCKAMCSA-N
XLogP6.23
TPSA77.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol?
The IUPAC name of 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol (CID 135810322) is 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol.
What is the SMILES notation for 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol?
The canonical SMILES for 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol is Cc1cccc(/N=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)c1O.
What is the InChIKey of 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol?
The InChIKey is UKRKTTLIUYSKTM-OBMCKAMCSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13-4-2-7-18(20(13)26)22-12-14-10-17(8-9-19(14)25)24-23-16-6-3-5-15(21)11-16/h2-12,25-26H,1H3/b22-12+,24-23+.
What are the key properties of 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol?
2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol has a molecular weight of 365.82 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol is sourced from PubChem (CID 135810322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).