5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol

C17H16Cl2N2O2 — CID 101422076

IUPAC5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
SMILESC/C(C/C(C)=N/c1ccc(Cl)cc1O)=N\c1ccc(Cl)cc1O
InChIInChI=1S/C17H16Cl2N2O2/c1-10(20-14-5-3-12(18)8-16(14)22)7-11(2)21-15-6-4-13(19)9-17(15)23/h3-6,8-9,22-23H,7H2,1-2H3/b20-10+,21-11+
InChIKeyOCVKXZFDHLGAGE-CLVAPQHMSA-N
MW351.23 g/mol
LogP5.68
Rot. Bonds4

About 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol

5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol (PubChem CID 101422076) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
PubChem CID101422076
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
SMILESC/C(C/C(C)=N/c1ccc(Cl)cc1O)=N\c1ccc(Cl)cc1O
InChIInChI=1S/C17H16Cl2N2O2/c1-10(20-14-5-3-12(18)8-16(14)22)7-11(2)21-15-6-4-13(19)9-17(15)23/h3-6,8-9,22-23H,7H2,1-2H3/b20-10+,21-11+
InChIKeyOCVKXZFDHLGAGE-CLVAPQHMSA-N
XLogP5.68
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.23
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The IUPAC name of 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol (CID 101422076) is 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol.
What is the SMILES notation for 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The canonical SMILES for 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol is C/C(C/C(C)=N/c1ccc(Cl)cc1O)=N\c1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The InChIKey is OCVKXZFDHLGAGE-CLVAPQHMSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10(20-14-5-3-12(18)8-16(14)22)7-11(2)21-15-6-4-13(19)9-17(15)23/h3-6,8-9,22-23H,7H2,1-2H3/b20-10+,21-11+.
What are the key properties of 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol has a molecular weight of 351.23 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol is sourced from PubChem (CID 101422076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).