5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

C20H20Cl2N2O — CID 135975962

IUPAC5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1cc(Cl)ccc1/C=N/[C@H]1CCCCC1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N2O/c21-16-8-5-14(6-9-16)12-23-18-3-1-2-4-19(18)24-13-15-7-10-17(22)11-20(15)25/h5-13,18-19,25H,1-4H2/b23-12+,24-13+/t18?,19-/m0/s1
InChIKeyIOFRLKZNYADEAU-BTQRBWJUSA-N
MW375.30 g/mol
LogP5.55
Rot. Bonds4

About 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (PubChem CID 135975962) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
PubChem CID135975962
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1cc(Cl)ccc1/C=N/[C@H]1CCCCC1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N2O/c21-16-8-5-14(6-9-16)12-23-18-3-1-2-4-19(18)24-13-15-7-10-17(22)11-20(15)25/h5-13,18-19,25H,1-4H2/b23-12+,24-13+/t18?,19-/m0/s1
InChIKeyIOFRLKZNYADEAU-BTQRBWJUSA-N
XLogP5.55
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
CID 159587394
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol
CID 157078138
2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 2265555
5-(diethylamino)-2-[[(2S)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 155164284
2-[[(1R,2S)-2-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-difluorophenol
CID 136785150
5-decyl-2-[[(1S,2S)-2-[(4-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;2-[[(1S,2S)-2-[(4-decyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-hexylphenol;2-[[(1S,2S)-2-[(4-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-octylphenol;5-hexadecyl-2-[[(1S,2S)-2-[(4-hexadecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;5-hexyl-2-[[(1S,2S)-2-[(2-hydroxy-4-octylphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;2-[[(1S,2S)-2-[(2-hydroxy-4-icosylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-icosylphenol;platinum
CID 158542456
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
4-tert-butyl-2-[[2-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-chlorophenol
CID 5073488
cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone
CID 155649862
(1R)-2-(benzylideneamino)cyclohexan-1-ol
CID 67149914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The IUPAC name of 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (CID 135975962) is 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.
What is the SMILES notation for 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The canonical SMILES for 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is Oc1cc(Cl)ccc1/C=N/[C@H]1CCCCC1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The InChIKey is IOFRLKZNYADEAU-BTQRBWJUSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-16-8-5-14(6-9-16)12-23-18-3-1-2-4-19(18)24-13-15-7-10-17(22)11-20(15)25/h5-13,18-19,25H,1-4H2/b23-12+,24-13+/t18?,19-/m0/s1.
What are the key properties of 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol has a molecular weight of 375.30 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is sourced from PubChem (CID 135975962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).