2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C20H13ClF3NO2 — CID 3259013

IUPAC2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1
InChIInChI=1S/C20H13ClF3NO2/c21-16-8-4-5-13(19(16)26)12-25-17-11-14(20(22,23)24)9-10-18(17)27-15-6-2-1-3-7-15/h1-12,26H/b25-12+
InChIKeyYSCJAKKQKIHXRE-BRJLIKDPSA-N
MW391.78 g/mol
LogP6.61
Rot. Bonds4

About 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol

2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 3259013) has the molecular formula C20H13ClF3NO2 and a molecular weight of 391.78 g/mol. Its IUPAC name is 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID3259013
Molecular FormulaC20H13ClF3NO2
Molecular Weight391.78 g/mol
Exact Mass391.06
IUPAC Name2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1
InChIInChI=1S/C20H13ClF3NO2/c21-16-8-4-5-13(19(16)26)12-25-17-11-14(20(22,23)24)9-10-18(17)27-15-6-2-1-3-7-15/h1-12,26H/b25-12+
InChIKeyYSCJAKKQKIHXRE-BRJLIKDPSA-N
XLogP6.61
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 3259013) is 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1.
What is the InChIKey of 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is YSCJAKKQKIHXRE-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H13ClF3NO2/c21-16-8-4-5-13(19(16)26)12-25-17-11-14(20(22,23)24)9-10-18(17)27-15-6-2-1-3-7-15/h1-12,26H/b25-12+.
What are the key properties of 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 391.78 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3259013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).