2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

C20H18Cl4N2O2 — CID 2265555

IUPAC2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H18Cl4N2O2/c21-13-5-11(19(27)15(23)7-13)9-25-17-3-1-2-4-18(17)26-10-12-6-14(22)8-16(24)20(12)28/h5-10,17-18,27-28H,1-4H2/b25-9+,26-10+/t17-,18+
InChIKeyHRSBPQZCDSPHDC-INADVXLTSA-N
MW460.19 g/mol
LogP6.56
Rot. Bonds4

About 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (PubChem CID 2265555) has the molecular formula C20H18Cl4N2O2 and a molecular weight of 460.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
PubChem CID2265555
Molecular FormulaC20H18Cl4N2O2
Molecular Weight460.19 g/mol
Exact Mass458.01
IUPAC Name2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H18Cl4N2O2/c21-13-5-11(19(27)15(23)7-13)9-25-17-3-1-2-4-18(17)26-10-12-6-14(22)8-16(24)20(12)28/h5-10,17-18,27-28H,1-4H2/b25-9+,26-10+/t17-,18+
InChIKeyHRSBPQZCDSPHDC-INADVXLTSA-N
XLogP6.56
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.19
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[[2-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-chlorophenol
CID 5073488
2-[[(1R,2S)-2-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-difluorophenol
CID 136785150
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
4-amino-2-[[2-[[5-amino-3-(chloromethyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-(chloromethyl)phenol
CID 136627836
5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135975962
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 139203860
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
CID 136664418
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone
CID 158757229
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (CID 2265555) is 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The InChIKey is HRSBPQZCDSPHDC-INADVXLTSA-N. The full InChI is InChI=1S/C20H18Cl4N2O2/c21-13-5-11(19(27)15(23)7-13)9-25-17-3-1-2-4-18(17)26-10-12-6-14(22)8-16(24)20(12)28/h5-10,17-18,27-28H,1-4H2/b25-9+,26-10+/t17-,18+.
What are the key properties of 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol has a molecular weight of 460.19 g/mol, XLogP of 6.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is sourced from PubChem (CID 2265555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).