4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol

C14H9ClF3NO2 — CID 162659279

IUPAC4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-10-1-6-13(20)9(7-10)8-19-11-2-4-12(5-3-11)21-14(16,17)18/h1-8,20H/b19-8+
InChIKeyKYXODLUEDDWABB-UFWORHAWSA-N
MW315.68 g/mol
LogP4.69
Rot. Bonds3

About 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol

4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (PubChem CID 162659279) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
PubChem CID162659279
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-10-1-6-13(20)9(7-10)8-19-11-2-4-12(5-3-11)21-14(16,17)18/h1-8,20H/b19-8+
InChIKeyKYXODLUEDDWABB-UFWORHAWSA-N
XLogP4.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.69
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

4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 135657361
4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657402
2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 769823
dimethyl 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595456
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 162650883
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol
CID 139204499
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (CID 162659279) is 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The InChIKey is KYXODLUEDDWABB-UFWORHAWSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-10-1-6-13(20)9(7-10)8-19-11-2-4-12(5-3-11)21-14(16,17)18/h1-8,20H/b19-8+.
What are the key properties of 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol has a molecular weight of 315.68 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is sourced from PubChem (CID 162659279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).