3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol

C17H16Cl2N2O2 — CID 126613617

IUPAC3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
SMILESC/C(C/C(C)=N/c1c(O)cccc1Cl)=N\c1c(O)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-10(20-16-12(18)5-3-7-14(16)22)9-11(2)21-17-13(19)6-4-8-15(17)23/h3-8,22-23H,9H2,1-2H3/b20-10+,21-11+
InChIKeyBOIIVEVMMMBMKB-CLVAPQHMSA-N
MW351.23 g/mol
LogP5.68
Rot. Bonds4

About 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol

3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol (PubChem CID 126613617) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol.

Molecular Properties

Compound Name3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
PubChem CID126613617
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
SMILESC/C(C/C(C)=N/c1c(O)cccc1Cl)=N\c1c(O)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-10(20-16-12(18)5-3-7-14(16)22)9-11(2)21-17-13(19)6-4-8-15(17)23/h3-8,22-23H,9H2,1-2H3/b20-10+,21-11+
InChIKeyBOIIVEVMMMBMKB-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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Related Compounds

Copper;2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
CID 134991298
3-Chloro-2-isocyanatophenol
CID 87194534
2-[3-(2-Hydroxyphenyl)iminobutan-2-ylideneamino]phenol
CID 135733766
4-(2-Chloro-6-hydroxyphenyl)iminopentan-2-one
CID 139343039
CID 162200798
CID 162200798
2-Amino-3-chlorophenol;4-aminophenol
CID 174770945
2-[(1Z,4E)-5-(2-hydroxyphenyl)-2,4-dimethyl-1,5-diazapenta-1,4-dienyl]phenol
CID 5046197
4-Chloro-2-(propan-2-ylideneamino)phenol
CID 101067492
5-Chloro-2-[4-(4-chloro-2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
CID 101422076
5-Chloro-2-[(4-chlorophenyl)diazenyl]phenol
CID 136798453
3-Chloro-2-[2-(2-chlorophenyl)diazenyl]phenol
CID 165349583

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The IUPAC name of 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol (CID 126613617) is 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol.
What is the SMILES notation for 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The canonical SMILES for 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol is C/C(C/C(C)=N/c1c(O)cccc1Cl)=N\c1c(O)cccc1Cl.
What is the InChIKey of 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The InChIKey is BOIIVEVMMMBMKB-CLVAPQHMSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10(20-16-12(18)5-3-7-14(16)22)9-11(2)21-17-13(19)6-4-8-15(17)23/h3-8,22-23H,9H2,1-2H3/b20-10+,21-11+.
What are the key properties of 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
3-chloro-2-[4-(2-chloro-6-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 3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol is sourced from PubChem (CID 126613617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).