2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

C20H14Cl2N2O2 — CID 136859600

IUPAC2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(Cl)c(Cl)cc1/N=C/c1ccccc1O
InChIInChI=1S/C20H14Cl2N2O2/c21-15-9-17(23-11-13-5-1-3-7-19(13)25)18(10-16(15)22)24-12-14-6-2-4-8-20(14)26/h1-12,25-26H/b23-11+,24-12+
InChIKeyVDBBTYZYNJTICC-ASIDMNOUSA-N
MW385.25 g/mol
LogP5.91
Rot. Bonds4

About 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (PubChem CID 136859600) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
PubChem CID136859600
Molecular FormulaC20H14Cl2N2O2
Molecular Weight385.25 g/mol
Exact Mass384.04
IUPAC Name2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(Cl)c(Cl)cc1/N=C/c1ccccc1O
InChIInChI=1S/C20H14Cl2N2O2/c21-15-9-17(23-11-13-5-1-3-7-19(13)25)18(10-16(15)22)24-12-14-6-2-4-8-20(14)26/h1-12,25-26H/b23-11+,24-12+
InChIKeyVDBBTYZYNJTICC-ASIDMNOUSA-N
XLogP5.91
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (CID 136859600) is 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cc(Cl)c(Cl)cc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The InChIKey is VDBBTYZYNJTICC-ASIDMNOUSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c21-15-9-17(23-11-13-5-1-3-7-19(13)25)18(10-16(15)22)24-12-14-6-2-4-8-20(14)26/h1-12,25-26H/b23-11+,24-12+.
What are the key properties of 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol has a molecular weight of 385.25 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 136859600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).