4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol

C15H10F5NO2 — CID 177409244

IUPAC4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
SMILESOc1ccc(C/C=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H10F5NO2/c16-11-10(12(17)14(19)15(20)13(11)18)7-23-21-6-5-8-1-3-9(22)4-2-8/h1-4,6,22H,5,7H2/b21-6+
InChIKeyNZKJIBFIOUMXBE-AERZKKPOSA-N
MW331.24 g/mol
LogP3.83
Rot. Bonds5

About 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol

4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol (PubChem CID 177409244) has the molecular formula C15H10F5NO2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol.

Molecular Properties

Compound Name4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
PubChem CID177409244
Molecular FormulaC15H10F5NO2
Molecular Weight331.24 g/mol
Exact Mass331.06
IUPAC Name4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
SMILESOc1ccc(C/C=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H10F5NO2/c16-11-10(12(17)14(19)15(20)13(11)18)7-23-21-6-5-8-1-3-9(22)4-2-8/h1-4,6,22H,5,7H2/b21-6+
InChIKeyNZKJIBFIOUMXBE-AERZKKPOSA-N
XLogP3.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663915
N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine
CID 71433851
2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663914
2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
CID 602213
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
CID 602550
1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
CID 171139142
4-[(E)-3-fluoroprop-2-enyl]phenol
CID 22256147
(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid
CID 139891661
2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride
CID 76547169
2-(4-hydroxyphenyl)ethanethial
CID 54570188
[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol
CID 87710316
2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine
CID 5374811

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol?
The IUPAC name of 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol (CID 177409244) is 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol.
What is the SMILES notation for 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol?
The canonical SMILES for 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol is Oc1ccc(C/C=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol?
The InChIKey is NZKJIBFIOUMXBE-AERZKKPOSA-N. The full InChI is InChI=1S/C15H10F5NO2/c16-11-10(12(17)14(19)15(20)13(11)18)7-23-21-6-5-8-1-3-9(22)4-2-8/h1-4,6,22H,5,7H2/b21-6+.
What are the key properties of 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol?
4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol has a molecular weight of 331.24 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol is sourced from PubChem (CID 177409244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).